1-ethoxyadamantane;2-ethoxyadamantane;5-ethoxyadamantan-2-one;1-ethoxy-1-ethylcyclohexane;1-ethoxy-1-ethylcyclopentane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane;2-ethoxy-2-methylbicyclo[2.2.1]heptane;2-ethoxy-1,1,3,3-tetramethylcyclohexane;2-ethoxy-1,1,3,3-tetramethylcyclopentane

C114H204O11 — CID 157444012

IUPAC1-ethoxyadamantane;2-ethoxyadamantane;5-ethoxyadamantan-2-one;1-ethoxy-1-ethylcyclohexane;1-ethoxy-1-ethylcyclopentane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane;2-ethoxy-2-methylbicyclo[2.2.1]heptane;2-ethoxy-1,1,3,3-tetramethylcyclohexane;2-ethoxy-1,1,3,3-tetramethylcyclopentane
SMILESCCOC1(C)CC2CCC1C2.CCOC1(CC)CCCC1.CCOC1(CC)CCCCC1.CCOC12CC3CC(C1)C(=O)C(C3)C2.CCOC12CC3CC(CC(C3)C1)C2.CCOC1C(C)(C)CCC1(C)C.CCOC1C(C)(C)CCCC1(C)C.CCOC1C2CC3CC(C2)CC1C3.CCOCC12CC3CC(CC(C3)C1)C2.CCOCC1C2CC3CC(C2)CC1C3
InChIInChI=1S/2C13H22O.C12H18O2.2C12H20O.C12H24O.C11H22O.C10H18O.C10H20O.C9H18O/c1-2-14-9-13-6-10-3-11(7-13)5-12(4-10)8-13;1-2-14-8-13-11-4-9-3-10(6-11)7-12(13)5-9;1-2-14-12-5-8-3-9(6-12)11(13)10(4-8)7-12;1-2-13-12-6-9-3-10(7-12)5-11(4-9)8-12;1-2-13-12-10-4-8-3-9(6-10)7-11(12)5-8;1-6-13-10-11(2,3)8-7-9-12(10,4)5;1-6-12-9-10(2,3)7-8-11(9,4)5;1-3-11-10(2)7-8-4-5-9(10)6-8;1-3-10(11-4-2)8-6-5-7-9-10;1-3-9(10-4-2)7-5-6-8-9/h10-12H,2-9H2,1H3;9-13H,2-8H2,1H3;8-10H,2-7H2,1H3;9-11H,2-8H2,1H3;8-12H,2-7H2,1H3;10H,6-9H2,1-5H3;9H,6-8H2,1-5H3;8-9H,3-7H2,1-2H3;3-9H2,1-2H3;3-8H2,1-2H3
InChIKeyBRZWEWKQKDJIQG-UHFFFAOYSA-N
MW1750.87 g/mol
LogP29.69
Rot. Bonds24

About 1-ethoxyadamantane;2-ethoxyadamantane;5-ethoxyadamantan-2-one;1-ethoxy-1-ethylcyclohexane;1-ethoxy-1-ethylcyclopentane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane;2-ethoxy-2-methylbicyclo[2.2.1]heptane;2-ethoxy-1,1,3,3-tetramethylcyclohexane;2-ethoxy-1,1,3,3-tetramethylcyclopentane

1-ethoxyadamantane;2-ethoxyadamantane;5-ethoxyadamantan-2-one;1-ethoxy-1-ethylcyclohexane;1-ethoxy-1-ethylcyclopentane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane;2-ethoxy-2-methylbicyclo[2.2.1]heptane;2-ethoxy-1,1,3,3-tetramethylcyclohexane;2-ethoxy-1,1,3,3-tetramethylcyclopentane (PubChem CID 157444012) has the molecular formula C114H204O11 and a molecular weight of 1750.87 g/mol. Its IUPAC name is 1-ethoxyadamantane;2-ethoxyadamantane;5-ethoxyadamantan-2-one;1-ethoxy-1-ethylcyclohexane;1-ethoxy-1-ethylcyclopentane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane;2-ethoxy-2-methylbicyclo[2.2.1]heptane;2-ethoxy-1,1,3,3-tetramethylcyclohexane;2-ethoxy-1,1,3,3-tetramethylcyclopentane.

Molecular Properties

Compound Name1-ethoxyadamantane;2-ethoxyadamantane;5-ethoxyadamantan-2-one;1-ethoxy-1-ethylcyclohexane;1-ethoxy-1-ethylcyclopentane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane;2-ethoxy-2-methylbicyclo[2.2.1]heptane;2-ethoxy-1,1,3,3-tetramethylcyclohexane;2-ethoxy-1,1,3,3-tetramethylcyclopentane
PubChem CID157444012
Molecular FormulaC114H204O11
Molecular Weight1750.87 g/mol
Exact Mass1749.54
IUPAC Name1-ethoxyadamantane;2-ethoxyadamantane;5-ethoxyadamantan-2-one;1-ethoxy-1-ethylcyclohexane;1-ethoxy-1-ethylcyclopentane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane;2-ethoxy-2-methylbicyclo[2.2.1]heptane;2-ethoxy-1,1,3,3-tetramethylcyclohexane;2-ethoxy-1,1,3,3-tetramethylcyclopentane
SMILESCCOC1(C)CC2CCC1C2.CCOC1(CC)CCCC1.CCOC1(CC)CCCCC1.CCOC12CC3CC(C1)C(=O)C(C3)C2.CCOC12CC3CC(CC(C3)C1)C2.CCOC1C(C)(C)CCC1(C)C.CCOC1C(C)(C)CCCC1(C)C.CCOC1C2CC3CC(C2)CC1C3.CCOCC12CC3CC(CC(C3)C1)C2.CCOCC1C2CC3CC(C2)CC1C3
InChIInChI=1S/2C13H22O.C12H18O2.2C12H20O.C12H24O.C11H22O.C10H18O.C10H20O.C9H18O/c1-2-14-9-13-6-10-3-11(7-13)5-12(4-10)8-13;1-2-14-8-13-11-4-9-3-10(6-11)7-12(13)5-9;1-2-14-12-5-8-3-9(6-12)11(13)10(4-8)7-12;1-2-13-12-6-9-3-10(7-12)5-11(4-9)8-12;1-2-13-12-10-4-8-3-9(6-10)7-11(12)5-8;1-6-13-10-11(2,3)8-7-9-12(10,4)5;1-6-12-9-10(2,3)7-8-11(9,4)5;1-3-11-10(2)7-8-4-5-9(10)6-8;1-3-10(11-4-2)8-6-5-7-9-10;1-3-9(10-4-2)7-5-6-8-9/h10-12H,2-9H2,1H3;9-13H,2-8H2,1H3;8-10H,2-7H2,1H3;9-11H,2-8H2,1H3;8-12H,2-7H2,1H3;10H,6-9H2,1-5H3;9H,6-8H2,1-5H3;8-9H,3-7H2,1-2H3;3-9H2,1-2H3;3-8H2,1-2H3
InChIKeyBRZWEWKQKDJIQG-UHFFFAOYSA-N
XLogP29.69
TPSA109.37 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds24
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001750.87
LogP ≤ 529.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 1-ethoxyadamantane;2-ethoxyadamantane;5-ethoxyadamantan-2-one;1-ethoxy-1-ethylcyclohexane;1-ethoxy-1-ethylcyclopentane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane;2-ethoxy-2-methylbicyclo[2.2.1]heptane;2-ethoxy-1,1,3,3-tetramethylcyclohexane;2-ethoxy-1,1,3,3-tetramethylcyclopentane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxyadamantane;2-ethoxyadamantane;5-ethoxyadamantan-2-one;1-ethoxy-1-ethylcyclohexane;1-ethoxy-1-ethylcyclopentane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane;2-ethoxy-2-methylbicyclo[2.2.1]heptane;2-ethoxy-1,1,3,3-tetramethylcyclohexane;2-ethoxy-1,1,3,3-tetramethylcyclopentane?
The IUPAC name of 1-ethoxyadamantane;2-ethoxyadamantane;5-ethoxyadamantan-2-one;1-ethoxy-1-ethylcyclohexane;1-ethoxy-1-ethylcyclopentane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane;2-ethoxy-2-methylbicyclo[2.2.1]heptane;2-ethoxy-1,1,3,3-tetramethylcyclohexane;2-ethoxy-1,1,3,3-tetramethylcyclopentane (CID 157444012) is 1-ethoxyadamantane;2-ethoxyadamantane;5-ethoxyadamantan-2-one;1-ethoxy-1-ethylcyclohexane;1-ethoxy-1-ethylcyclopentane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane;2-ethoxy-2-methylbicyclo[2.2.1]heptane;2-ethoxy-1,1,3,3-tetramethylcyclohexane;2-ethoxy-1,1,3,3-tetramethylcyclopentane.
What is the SMILES notation for 1-ethoxyadamantane;2-ethoxyadamantane;5-ethoxyadamantan-2-one;1-ethoxy-1-ethylcyclohexane;1-ethoxy-1-ethylcyclopentane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane;2-ethoxy-2-methylbicyclo[2.2.1]heptane;2-ethoxy-1,1,3,3-tetramethylcyclohexane;2-ethoxy-1,1,3,3-tetramethylcyclopentane?
The canonical SMILES for 1-ethoxyadamantane;2-ethoxyadamantane;5-ethoxyadamantan-2-one;1-ethoxy-1-ethylcyclohexane;1-ethoxy-1-ethylcyclopentane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane;2-ethoxy-2-methylbicyclo[2.2.1]heptane;2-ethoxy-1,1,3,3-tetramethylcyclohexane;2-ethoxy-1,1,3,3-tetramethylcyclopentane is CCOC1(C)CC2CCC1C2.CCOC1(CC)CCCC1.CCOC1(CC)CCCCC1.CCOC12CC3CC(C1)C(=O)C(C3)C2.CCOC12CC3CC(CC(C3)C1)C2.CCOC1C(C)(C)CCC1(C)C.CCOC1C(C)(C)CCCC1(C)C.CCOC1C2CC3CC(C2)CC1C3.CCOCC12CC3CC(CC(C3)C1)C2.CCOCC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-ethoxyadamantane;2-ethoxyadamantane;5-ethoxyadamantan-2-one;1-ethoxy-1-ethylcyclohexane;1-ethoxy-1-ethylcyclopentane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane;2-ethoxy-2-methylbicyclo[2.2.1]heptane;2-ethoxy-1,1,3,3-tetramethylcyclohexane;2-ethoxy-1,1,3,3-tetramethylcyclopentane?
The InChIKey is BRZWEWKQKDJIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H22O.C12H18O2.2C12H20O.C12H24O.C11H22O.C10H18O.C10H20O.C9H18O/c1-2-14-9-13-6-10-3-11(7-13)5-12(4-10)8-13;1-2-14-8-13-11-4-9-3-10(6-11)7-12(13)5-9;1-2-14-12-5-8-3-9(6-12)11(13)10(4-8)7-12;1-2-13-12-6-9-3-10(7-12)5-11(4-9)8-12;1-2-13-12-10-4-8-3-9(6-10)7-11(12)5-8;1-6-13-10-11(2,3)8-7-9-12(10,4)5;1-6-12-9-10(2,3)7-8-11(9,4)5;1-3-11-10(2)7-8-4-5-9(10)6-8;1-3-10(11-4-2)8-6-5-7-9-10;1-3-9(10-4-2)7-5-6-8-9/h10-12H,2-9H2,1H3;9-13H,2-8H2,1H3;8-10H,2-7H2,1H3;9-11H,2-8H2,1H3;8-12H,2-7H2,1H3;10H,6-9H2,1-5H3;9H,6-8H2,1-5H3;8-9H,3-7H2,1-2H3;3-9H2,1-2H3;3-8H2,1-2H3.
What are the key properties of 1-ethoxyadamantane;2-ethoxyadamantane;5-ethoxyadamantan-2-one;1-ethoxy-1-ethylcyclohexane;1-ethoxy-1-ethylcyclopentane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane;2-ethoxy-2-methylbicyclo[2.2.1]heptane;2-ethoxy-1,1,3,3-tetramethylcyclohexane;2-ethoxy-1,1,3,3-tetramethylcyclopentane?
1-ethoxyadamantane;2-ethoxyadamantane;5-ethoxyadamantan-2-one;1-ethoxy-1-ethylcyclohexane;1-ethoxy-1-ethylcyclopentane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane;2-ethoxy-2-methylbicyclo[2.2.1]heptane;2-ethoxy-1,1,3,3-tetramethylcyclohexane;2-ethoxy-1,1,3,3-tetramethylcyclopentane has a molecular weight of 1750.87 g/mol, XLogP of 29.69, 24 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyadamantane;2-ethoxyadamantane;5-ethoxyadamantan-2-one;1-ethoxy-1-ethylcyclohexane;1-ethoxy-1-ethylcyclopentane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane;2-ethoxy-2-methylbicyclo[2.2.1]heptane;2-ethoxy-1,1,3,3-tetramethylcyclohexane;2-ethoxy-1,1,3,3-tetramethylcyclopentane is sourced from PubChem (CID 157444012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).