1-ethoxy-3,3-dimethylbutane;1-ethoxy-3,3-dimethylpentane;1-ethoxy-3-methylbutane;2-(ethoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptane;3-(ethoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptane;1-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;2-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;3-ethoxy-2,2,7,7-tetramethylbicyclo[2.2.1]heptane;2-ethoxy-1,1,3,3-tetramethylcyclohexane;2-ethoxy-1,3,3-trimethylbicyclo[2.2.1]heptane

C111H204O10 — CID 162163475

IUPAC1-ethoxy-3,3-dimethylbutane;1-ethoxy-3,3-dimethylpentane;1-ethoxy-3-methylbutane;2-(ethoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptane;3-(ethoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptane;1-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;2-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;3-ethoxy-2,2,7,7-tetramethylbicyclo[2.2.1]heptane;2-ethoxy-1,1,3,3-tetramethylcyclohexane;2-ethoxy-1,3,3-trimethylbicyclo[2.2.1]heptane
SMILESCCOC1C(C)(C)CCCC1(C)C.CCOC1C2(C)CCC(C2)C1(C)C.CCOC1C2CCC(C2(C)C)C1(C)C.CCOCC1CC2CC(C1)C2(C)C.CCOCC1CCC2CC1C2(C)C.CCOCC1CCCc2ccccc21.CCOCC1CCc2ccccc2C1.CCOCCC(C)(C)C.CCOCCC(C)(C)CC.CCOCCC(C)C
InChIInChI=1S/C13H24O.2C13H18O.3C12H22O.C12H24O.C9H20O.C8H18O.C7H16O/c1-6-14-11-9-7-8-10(12(9,2)3)13(11,4)5;1-2-14-10-12-8-5-7-11-6-3-4-9-13(11)12;1-2-14-10-11-7-8-12-5-3-4-6-13(12)9-11;1-5-13-10-11(2,3)9-6-7-12(10,4)8-9;1-4-13-8-9-5-10-7-11(6-9)12(10,2)3;1-4-13-8-9-5-6-10-7-11(9)12(10,2)3;1-6-13-10-11(2,3)8-7-9-12(10,4)5;1-5-9(3,4)7-8-10-6-2;1-5-9-7-6-8(2,3)4;1-4-8-6-5-7(2)3/h9-11H,6-8H2,1-5H3;3-4,6,9,12H,2,5,7-8,10H2,1H3;3-6,11H,2,7-10H2,1H3;9-10H,5-8H2,1-4H3;2*9-11H,4-8H2,1-3H3;10H,6-9H2,1-5H3;5-8H2,1-4H3;5-7H2,1-4H3;7H,4-6H2,1-3H3
InChIKeyZMUOVKIQUVSHET-UHFFFAOYSA-N
MW1698.84 g/mol
LogP29.89
Rot. Bonds30

About 1-ethoxy-3,3-dimethylbutane;1-ethoxy-3,3-dimethylpentane;1-ethoxy-3-methylbutane;2-(ethoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptane;3-(ethoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptane;1-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;2-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;3-ethoxy-2,2,7,7-tetramethylbicyclo[2.2.1]heptane;2-ethoxy-1,1,3,3-tetramethylcyclohexane;2-ethoxy-1,3,3-trimethylbicyclo[2.2.1]heptane

1-ethoxy-3,3-dimethylbutane;1-ethoxy-3,3-dimethylpentane;1-ethoxy-3-methylbutane;2-(ethoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptane;3-(ethoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptane;1-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;2-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;3-ethoxy-2,2,7,7-tetramethylbicyclo[2.2.1]heptane;2-ethoxy-1,1,3,3-tetramethylcyclohexane;2-ethoxy-1,3,3-trimethylbicyclo[2.2.1]heptane (PubChem CID 162163475) has the molecular formula C111H204O10 and a molecular weight of 1698.84 g/mol. Its IUPAC name is 1-ethoxy-3,3-dimethylbutane;1-ethoxy-3,3-dimethylpentane;1-ethoxy-3-methylbutane;2-(ethoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptane;3-(ethoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptane;1-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;2-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;3-ethoxy-2,2,7,7-tetramethylbicyclo[2.2.1]heptane;2-ethoxy-1,1,3,3-tetramethylcyclohexane;2-ethoxy-1,3,3-trimethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1-ethoxy-3,3-dimethylbutane;1-ethoxy-3,3-dimethylpentane;1-ethoxy-3-methylbutane;2-(ethoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptane;3-(ethoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptane;1-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;2-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;3-ethoxy-2,2,7,7-tetramethylbicyclo[2.2.1]heptane;2-ethoxy-1,1,3,3-tetramethylcyclohexane;2-ethoxy-1,3,3-trimethylbicyclo[2.2.1]heptane
PubChem CID162163475
Molecular FormulaC111H204O10
Molecular Weight1698.84 g/mol
Exact Mass1697.55
IUPAC Name1-ethoxy-3,3-dimethylbutane;1-ethoxy-3,3-dimethylpentane;1-ethoxy-3-methylbutane;2-(ethoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptane;3-(ethoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptane;1-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;2-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;3-ethoxy-2,2,7,7-tetramethylbicyclo[2.2.1]heptane;2-ethoxy-1,1,3,3-tetramethylcyclohexane;2-ethoxy-1,3,3-trimethylbicyclo[2.2.1]heptane
SMILESCCOC1C(C)(C)CCCC1(C)C.CCOC1C2(C)CCC(C2)C1(C)C.CCOC1C2CCC(C2(C)C)C1(C)C.CCOCC1CC2CC(C1)C2(C)C.CCOCC1CCC2CC1C2(C)C.CCOCC1CCCc2ccccc21.CCOCC1CCc2ccccc2C1.CCOCCC(C)(C)C.CCOCCC(C)(C)CC.CCOCCC(C)C
InChIInChI=1S/C13H24O.2C13H18O.3C12H22O.C12H24O.C9H20O.C8H18O.C7H16O/c1-6-14-11-9-7-8-10(12(9,2)3)13(11,4)5;1-2-14-10-12-8-5-7-11-6-3-4-9-13(11)12;1-2-14-10-11-7-8-12-5-3-4-6-13(12)9-11;1-5-13-10-11(2,3)9-6-7-12(10,4)8-9;1-4-13-8-9-5-10-7-11(6-9)12(10,2)3;1-4-13-8-9-5-6-10-7-11(9)12(10,2)3;1-6-13-10-11(2,3)8-7-9-12(10,4)5;1-5-9(3,4)7-8-10-6-2;1-5-9-7-6-8(2,3)4;1-4-8-6-5-7(2)3/h9-11H,6-8H2,1-5H3;3-4,6,9,12H,2,5,7-8,10H2,1H3;3-6,11H,2,7-10H2,1H3;9-10H,5-8H2,1-4H3;2*9-11H,4-8H2,1-3H3;10H,6-9H2,1-5H3;5-8H2,1-4H3;5-7H2,1-4H3;7H,4-6H2,1-3H3
InChIKeyZMUOVKIQUVSHET-UHFFFAOYSA-N
XLogP29.89
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds30
Heavy Atoms121
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001698.84
LogP ≤ 529.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-ethoxy-3,3-dimethylbutane;1-ethoxy-3,3-dimethylpentane;1-ethoxy-3-methylbutane;2-(ethoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptane;3-(ethoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptane;1-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;2-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;3-ethoxy-2,2,7,7-tetramethylbicyclo[2.2.1]heptane;2-ethoxy-1,1,3,3-tetramethylcyclohexane;2-ethoxy-1,3,3-trimethylbicyclo[2.2.1]heptane with MolForge

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Related Compounds

7-ethoxybicyclo[2.2.1]heptane;5-ethoxybicyclo[2.1.1]hexane;3-ethoxy-2,2-dimethylbicyclo[2.2.2]octane;4-ethoxy-3,3-dimethylspiro[4.5]decane;7-ethoxy-6,6-dimethylspiro[2.4]heptane;4-ethoxy-3,3-dimethylspiro[4.4]nonane;5-ethoxy-4,4-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;[1-(ethoxymethyl)cyclopentyl]cyclohexane;5-(ethoxymethyl)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pentalene;6-(ethoxymethyl)-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene;7-(ethoxymethyl)-7-methyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene;8-(ethoxymethyl)-8-methyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene;bis(1-(ethoxymethyl)-1-propan-2-ylcyclohexane);1-(ethoxymethyl)-1-propan-2-ylcyclopentane;1-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;7-ethoxy-1,3,3-trimethylbicyclo[2.2.1]heptane
CID 158668264
3-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)pentan-3-amine
CID 64573367
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
3-ethoxy-2,2,7,7-tetramethylbicyclo[2.2.1]heptane
CID 70370724
4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)piperidine
CID 63771604
N-[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)ethyl]propan-1-amine
CID 63771953
1-cyclohexyl-4-(ethoxymethyl)cyclohexane;5-ethoxyadamantan-2-one;1-ethoxy-1,2-dihydroacenaphthylene;9-ethoxy-9H-fluorene;2-(ethoxymethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1-(ethoxymethyl)adamantane;5-(ethoxymethyl)bicyclo[2.2.1]hept-2-ene;ethoxymethylcycloheptane;ethoxymethylcyclooctane;1-(ethoxymethyl)-1,2-dihydroacenaphthylene;1-(ethoxymethyl)-2,3-dihydro-1H-indene;2-(ethoxymethyl)-2,3-dihydro-1H-indene;9-(ethoxymethyl)-9H-fluorene;2-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;1-ethoxy-1,2,3,4-tetrahydronaphthalene
CID 159896784
2,3-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol
CID 63770918
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)cycloheptan-1-amine
CID 64551489
[3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-2-yl]hydrazine
CID 105219620
2-methyl-1-(2-methylpropylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
CID 66037048
[3-ethoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-yl]hydrazine
CID 105222806

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3,3-dimethylbutane;1-ethoxy-3,3-dimethylpentane;1-ethoxy-3-methylbutane;2-(ethoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptane;3-(ethoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptane;1-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;2-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;3-ethoxy-2,2,7,7-tetramethylbicyclo[2.2.1]heptane;2-ethoxy-1,1,3,3-tetramethylcyclohexane;2-ethoxy-1,3,3-trimethylbicyclo[2.2.1]heptane?
The IUPAC name of 1-ethoxy-3,3-dimethylbutane;1-ethoxy-3,3-dimethylpentane;1-ethoxy-3-methylbutane;2-(ethoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptane;3-(ethoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptane;1-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;2-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;3-ethoxy-2,2,7,7-tetramethylbicyclo[2.2.1]heptane;2-ethoxy-1,1,3,3-tetramethylcyclohexane;2-ethoxy-1,3,3-trimethylbicyclo[2.2.1]heptane (CID 162163475) is 1-ethoxy-3,3-dimethylbutane;1-ethoxy-3,3-dimethylpentane;1-ethoxy-3-methylbutane;2-(ethoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptane;3-(ethoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptane;1-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;2-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;3-ethoxy-2,2,7,7-tetramethylbicyclo[2.2.1]heptane;2-ethoxy-1,1,3,3-tetramethylcyclohexane;2-ethoxy-1,3,3-trimethylbicyclo[2.2.1]heptane.
What is the SMILES notation for 1-ethoxy-3,3-dimethylbutane;1-ethoxy-3,3-dimethylpentane;1-ethoxy-3-methylbutane;2-(ethoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptane;3-(ethoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptane;1-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;2-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;3-ethoxy-2,2,7,7-tetramethylbicyclo[2.2.1]heptane;2-ethoxy-1,1,3,3-tetramethylcyclohexane;2-ethoxy-1,3,3-trimethylbicyclo[2.2.1]heptane?
The canonical SMILES for 1-ethoxy-3,3-dimethylbutane;1-ethoxy-3,3-dimethylpentane;1-ethoxy-3-methylbutane;2-(ethoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptane;3-(ethoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptane;1-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;2-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;3-ethoxy-2,2,7,7-tetramethylbicyclo[2.2.1]heptane;2-ethoxy-1,1,3,3-tetramethylcyclohexane;2-ethoxy-1,3,3-trimethylbicyclo[2.2.1]heptane is CCOC1C(C)(C)CCCC1(C)C.CCOC1C2(C)CCC(C2)C1(C)C.CCOC1C2CCC(C2(C)C)C1(C)C.CCOCC1CC2CC(C1)C2(C)C.CCOCC1CCC2CC1C2(C)C.CCOCC1CCCc2ccccc21.CCOCC1CCc2ccccc2C1.CCOCCC(C)(C)C.CCOCCC(C)(C)CC.CCOCCC(C)C.
What is the InChIKey of 1-ethoxy-3,3-dimethylbutane;1-ethoxy-3,3-dimethylpentane;1-ethoxy-3-methylbutane;2-(ethoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptane;3-(ethoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptane;1-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;2-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;3-ethoxy-2,2,7,7-tetramethylbicyclo[2.2.1]heptane;2-ethoxy-1,1,3,3-tetramethylcyclohexane;2-ethoxy-1,3,3-trimethylbicyclo[2.2.1]heptane?
The InChIKey is ZMUOVKIQUVSHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O.2C13H18O.3C12H22O.C12H24O.C9H20O.C8H18O.C7H16O/c1-6-14-11-9-7-8-10(12(9,2)3)13(11,4)5;1-2-14-10-12-8-5-7-11-6-3-4-9-13(11)12;1-2-14-10-11-7-8-12-5-3-4-6-13(12)9-11;1-5-13-10-11(2,3)9-6-7-12(10,4)8-9;1-4-13-8-9-5-10-7-11(6-9)12(10,2)3;1-4-13-8-9-5-6-10-7-11(9)12(10,2)3;1-6-13-10-11(2,3)8-7-9-12(10,4)5;1-5-9(3,4)7-8-10-6-2;1-5-9-7-6-8(2,3)4;1-4-8-6-5-7(2)3/h9-11H,6-8H2,1-5H3;3-4,6,9,12H,2,5,7-8,10H2,1H3;3-6,11H,2,7-10H2,1H3;9-10H,5-8H2,1-4H3;2*9-11H,4-8H2,1-3H3;10H,6-9H2,1-5H3;5-8H2,1-4H3;5-7H2,1-4H3;7H,4-6H2,1-3H3.
What are the key properties of 1-ethoxy-3,3-dimethylbutane;1-ethoxy-3,3-dimethylpentane;1-ethoxy-3-methylbutane;2-(ethoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptane;3-(ethoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptane;1-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;2-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;3-ethoxy-2,2,7,7-tetramethylbicyclo[2.2.1]heptane;2-ethoxy-1,1,3,3-tetramethylcyclohexane;2-ethoxy-1,3,3-trimethylbicyclo[2.2.1]heptane?
1-ethoxy-3,3-dimethylbutane;1-ethoxy-3,3-dimethylpentane;1-ethoxy-3-methylbutane;2-(ethoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptane;3-(ethoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptane;1-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;2-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;3-ethoxy-2,2,7,7-tetramethylbicyclo[2.2.1]heptane;2-ethoxy-1,1,3,3-tetramethylcyclohexane;2-ethoxy-1,3,3-trimethylbicyclo[2.2.1]heptane has a molecular weight of 1698.84 g/mol, XLogP of 29.89, 30 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3,3-dimethylbutane;1-ethoxy-3,3-dimethylpentane;1-ethoxy-3-methylbutane;2-(ethoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptane;3-(ethoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptane;1-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;2-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;3-ethoxy-2,2,7,7-tetramethylbicyclo[2.2.1]heptane;2-ethoxy-1,1,3,3-tetramethylcyclohexane;2-ethoxy-1,3,3-trimethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 162163475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).