1-butan-2-yloxy-1,2-dihydroacenaphthylene;1-butan-2-yloxy-2,3-dihydro-1H-indene;9-butan-2-yloxy-9H-fluorene;1-(3-methylbutan-2-yloxy)-1,2-dihydroacenaphthylene;1-(3-methylbutan-2-yloxy)-2,3-dihydro-1H-indene;9-(3-methylbutan-2-yloxy)-9H-fluorene;1-propan-2-yloxy-1,2-dihydroacenaphthylene;1-propan-2-yloxy-2,3-dihydro-1H-indene

C122H146O8 — CID 160875056

IUPAC1-butan-2-yloxy-1,2-dihydroacenaphthylene;1-butan-2-yloxy-2,3-dihydro-1H-indene;9-butan-2-yloxy-9H-fluorene;1-(3-methylbutan-2-yloxy)-1,2-dihydroacenaphthylene;1-(3-methylbutan-2-yloxy)-2,3-dihydro-1H-indene;9-(3-methylbutan-2-yloxy)-9H-fluorene;1-propan-2-yloxy-1,2-dihydroacenaphthylene;1-propan-2-yloxy-2,3-dihydro-1H-indene
SMILESCC(C)C(C)OC1CCc2ccccc21.CC(C)C(C)OC1Cc2cccc3cccc1c23.CC(C)C(C)OC1c2ccccc2-c2ccccc21.CC(C)OC1CCc2ccccc21.CC(C)OC1Cc2cccc3cccc1c23.CCC(C)OC1CCc2ccccc21.CCC(C)OC1Cc2cccc3cccc1c23.CCC(C)OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H20O.C17H20O.C17H18O.C16H18O.C15H16O.C14H20O.C13H18O.C12H16O/c1-12(2)13(3)19-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18;1-11(2)12(3)18-16-10-14-8-4-6-13-7-5-9-15(16)17(13)14;1-3-12(2)18-17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17;1-3-11(2)17-15-10-13-8-4-6-12-7-5-9-14(15)16(12)13;1-10(2)16-14-9-12-7-3-5-11-6-4-8-13(14)15(11)12;1-10(2)11(3)15-14-9-8-12-6-4-5-7-13(12)14;1-3-10(2)14-13-9-8-11-6-4-5-7-12(11)13;1-9(2)13-12-8-7-10-5-3-4-6-11(10)12/h4-13,18H,1-3H3;4-9,11-12,16H,10H2,1-3H3;4-12,17H,3H2,1-2H3;4-9,11,15H,3,10H2,1-2H3;3-8,10,14H,9H2,1-2H3;4-7,10-11,14H,8-9H2,1-3H3;4-7,10,13H,3,8-9H2,1-2H3;3-6,9,12H,7-8H2,1-2H3
InChIKeySMGYQPPWKKTUHU-UHFFFAOYSA-N
MW1740.50 g/mol
LogP32.32
Rot. Bonds22

About 1-butan-2-yloxy-1,2-dihydroacenaphthylene;1-butan-2-yloxy-2,3-dihydro-1H-indene;9-butan-2-yloxy-9H-fluorene;1-(3-methylbutan-2-yloxy)-1,2-dihydroacenaphthylene;1-(3-methylbutan-2-yloxy)-2,3-dihydro-1H-indene;9-(3-methylbutan-2-yloxy)-9H-fluorene;1-propan-2-yloxy-1,2-dihydroacenaphthylene;1-propan-2-yloxy-2,3-dihydro-1H-indene

1-butan-2-yloxy-1,2-dihydroacenaphthylene;1-butan-2-yloxy-2,3-dihydro-1H-indene;9-butan-2-yloxy-9H-fluorene;1-(3-methylbutan-2-yloxy)-1,2-dihydroacenaphthylene;1-(3-methylbutan-2-yloxy)-2,3-dihydro-1H-indene;9-(3-methylbutan-2-yloxy)-9H-fluorene;1-propan-2-yloxy-1,2-dihydroacenaphthylene;1-propan-2-yloxy-2,3-dihydro-1H-indene (PubChem CID 160875056) has the molecular formula C122H146O8 and a molecular weight of 1740.50 g/mol. Its IUPAC name is 1-butan-2-yloxy-1,2-dihydroacenaphthylene;1-butan-2-yloxy-2,3-dihydro-1H-indene;9-butan-2-yloxy-9H-fluorene;1-(3-methylbutan-2-yloxy)-1,2-dihydroacenaphthylene;1-(3-methylbutan-2-yloxy)-2,3-dihydro-1H-indene;9-(3-methylbutan-2-yloxy)-9H-fluorene;1-propan-2-yloxy-1,2-dihydroacenaphthylene;1-propan-2-yloxy-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name1-butan-2-yloxy-1,2-dihydroacenaphthylene;1-butan-2-yloxy-2,3-dihydro-1H-indene;9-butan-2-yloxy-9H-fluorene;1-(3-methylbutan-2-yloxy)-1,2-dihydroacenaphthylene;1-(3-methylbutan-2-yloxy)-2,3-dihydro-1H-indene;9-(3-methylbutan-2-yloxy)-9H-fluorene;1-propan-2-yloxy-1,2-dihydroacenaphthylene;1-propan-2-yloxy-2,3-dihydro-1H-indene
PubChem CID160875056
Molecular FormulaC122H146O8
Molecular Weight1740.50 g/mol
Exact Mass1739.10
IUPAC Name1-butan-2-yloxy-1,2-dihydroacenaphthylene;1-butan-2-yloxy-2,3-dihydro-1H-indene;9-butan-2-yloxy-9H-fluorene;1-(3-methylbutan-2-yloxy)-1,2-dihydroacenaphthylene;1-(3-methylbutan-2-yloxy)-2,3-dihydro-1H-indene;9-(3-methylbutan-2-yloxy)-9H-fluorene;1-propan-2-yloxy-1,2-dihydroacenaphthylene;1-propan-2-yloxy-2,3-dihydro-1H-indene
SMILESCC(C)C(C)OC1CCc2ccccc21.CC(C)C(C)OC1Cc2cccc3cccc1c23.CC(C)C(C)OC1c2ccccc2-c2ccccc21.CC(C)OC1CCc2ccccc21.CC(C)OC1Cc2cccc3cccc1c23.CCC(C)OC1CCc2ccccc21.CCC(C)OC1Cc2cccc3cccc1c23.CCC(C)OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H20O.C17H20O.C17H18O.C16H18O.C15H16O.C14H20O.C13H18O.C12H16O/c1-12(2)13(3)19-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18;1-11(2)12(3)18-16-10-14-8-4-6-13-7-5-9-15(16)17(13)14;1-3-12(2)18-17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17;1-3-11(2)17-15-10-13-8-4-6-12-7-5-9-14(15)16(12)13;1-10(2)16-14-9-12-7-3-5-11-6-4-8-13(14)15(11)12;1-10(2)11(3)15-14-9-8-12-6-4-5-7-13(12)14;1-3-10(2)14-13-9-8-11-6-4-5-7-12(11)13;1-9(2)13-12-8-7-10-5-3-4-6-11(10)12/h4-13,18H,1-3H3;4-9,11-12,16H,10H2,1-3H3;4-12,17H,3H2,1-2H3;4-9,11,15H,3,10H2,1-2H3;3-8,10,14H,9H2,1-2H3;4-7,10-11,14H,8-9H2,1-3H3;4-7,10,13H,3,8-9H2,1-2H3;3-6,9,12H,7-8H2,1-2H3
InChIKeySMGYQPPWKKTUHU-UHFFFAOYSA-N
XLogP32.32
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms130
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001740.50
LogP ≤ 532.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-butan-2-yloxy-1,2-dihydroacenaphthylene;1-butan-2-yloxy-2,3-dihydro-1H-indene;9-butan-2-yloxy-9H-fluorene;1-(3-methylbutan-2-yloxy)-1,2-dihydroacenaphthylene;1-(3-methylbutan-2-yloxy)-2,3-dihydro-1H-indene;9-(3-methylbutan-2-yloxy)-9H-fluorene;1-propan-2-yloxy-1,2-dihydroacenaphthylene;1-propan-2-yloxy-2,3-dihydro-1H-indene with MolForge

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Related Compounds

S-[2-(1,2-dihydroacenaphthylen-1-yloxy)propyl] ethanethioate
CID 89342159
propane;13-propan-2-yloxy-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2,5,7,9,11,15,17-octaene
CID 144871473
(1S)-1-hydroperoxy-1,2-dihydroacenaphthylene
CID 129383948
2-(1,2-dihydroacenaphthylen-1-yloxy)ethyl-triethylazanium
CID 4245314
9-hexan-2-yloxy-9H-fluorene
CID 126552429
butane;(2E)-3-butan-2-yl-10-propan-2-yloxytricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaen-2-amine;ethane;2-methylpropane
CID 163254609
2,3-dihydro-1H-inden-1-yl 2-methylbutanoate
CID 59254180
5-bromo-1-propan-2-yloxy-2,3-dihydro-1H-indene
CID 47002601
[(1S)-1,2-dihydroacenaphthylen-1-yl] acetate
CID 7018923
1-pent-4-en-2-yloxy-2,3-dihydro-1H-indene
CID 163573761
(2R,3R)-2-(2,3-dihydro-1H-inden-1-yloxy)-3-hydroxybutanedioic acid
CID 102059267
1,2-dihydroacenaphthylen-1-yl 2,2-dimethylbutanoate
CID 59476774

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yloxy-1,2-dihydroacenaphthylene;1-butan-2-yloxy-2,3-dihydro-1H-indene;9-butan-2-yloxy-9H-fluorene;1-(3-methylbutan-2-yloxy)-1,2-dihydroacenaphthylene;1-(3-methylbutan-2-yloxy)-2,3-dihydro-1H-indene;9-(3-methylbutan-2-yloxy)-9H-fluorene;1-propan-2-yloxy-1,2-dihydroacenaphthylene;1-propan-2-yloxy-2,3-dihydro-1H-indene?
The IUPAC name of 1-butan-2-yloxy-1,2-dihydroacenaphthylene;1-butan-2-yloxy-2,3-dihydro-1H-indene;9-butan-2-yloxy-9H-fluorene;1-(3-methylbutan-2-yloxy)-1,2-dihydroacenaphthylene;1-(3-methylbutan-2-yloxy)-2,3-dihydro-1H-indene;9-(3-methylbutan-2-yloxy)-9H-fluorene;1-propan-2-yloxy-1,2-dihydroacenaphthylene;1-propan-2-yloxy-2,3-dihydro-1H-indene (CID 160875056) is 1-butan-2-yloxy-1,2-dihydroacenaphthylene;1-butan-2-yloxy-2,3-dihydro-1H-indene;9-butan-2-yloxy-9H-fluorene;1-(3-methylbutan-2-yloxy)-1,2-dihydroacenaphthylene;1-(3-methylbutan-2-yloxy)-2,3-dihydro-1H-indene;9-(3-methylbutan-2-yloxy)-9H-fluorene;1-propan-2-yloxy-1,2-dihydroacenaphthylene;1-propan-2-yloxy-2,3-dihydro-1H-indene.
What is the SMILES notation for 1-butan-2-yloxy-1,2-dihydroacenaphthylene;1-butan-2-yloxy-2,3-dihydro-1H-indene;9-butan-2-yloxy-9H-fluorene;1-(3-methylbutan-2-yloxy)-1,2-dihydroacenaphthylene;1-(3-methylbutan-2-yloxy)-2,3-dihydro-1H-indene;9-(3-methylbutan-2-yloxy)-9H-fluorene;1-propan-2-yloxy-1,2-dihydroacenaphthylene;1-propan-2-yloxy-2,3-dihydro-1H-indene?
The canonical SMILES for 1-butan-2-yloxy-1,2-dihydroacenaphthylene;1-butan-2-yloxy-2,3-dihydro-1H-indene;9-butan-2-yloxy-9H-fluorene;1-(3-methylbutan-2-yloxy)-1,2-dihydroacenaphthylene;1-(3-methylbutan-2-yloxy)-2,3-dihydro-1H-indene;9-(3-methylbutan-2-yloxy)-9H-fluorene;1-propan-2-yloxy-1,2-dihydroacenaphthylene;1-propan-2-yloxy-2,3-dihydro-1H-indene is CC(C)C(C)OC1CCc2ccccc21.CC(C)C(C)OC1Cc2cccc3cccc1c23.CC(C)C(C)OC1c2ccccc2-c2ccccc21.CC(C)OC1CCc2ccccc21.CC(C)OC1Cc2cccc3cccc1c23.CCC(C)OC1CCc2ccccc21.CCC(C)OC1Cc2cccc3cccc1c23.CCC(C)OC1c2ccccc2-c2ccccc21.
What is the InChIKey of 1-butan-2-yloxy-1,2-dihydroacenaphthylene;1-butan-2-yloxy-2,3-dihydro-1H-indene;9-butan-2-yloxy-9H-fluorene;1-(3-methylbutan-2-yloxy)-1,2-dihydroacenaphthylene;1-(3-methylbutan-2-yloxy)-2,3-dihydro-1H-indene;9-(3-methylbutan-2-yloxy)-9H-fluorene;1-propan-2-yloxy-1,2-dihydroacenaphthylene;1-propan-2-yloxy-2,3-dihydro-1H-indene?
The InChIKey is SMGYQPPWKKTUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O.C17H20O.C17H18O.C16H18O.C15H16O.C14H20O.C13H18O.C12H16O/c1-12(2)13(3)19-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18;1-11(2)12(3)18-16-10-14-8-4-6-13-7-5-9-15(16)17(13)14;1-3-12(2)18-17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17;1-3-11(2)17-15-10-13-8-4-6-12-7-5-9-14(15)16(12)13;1-10(2)16-14-9-12-7-3-5-11-6-4-8-13(14)15(11)12;1-10(2)11(3)15-14-9-8-12-6-4-5-7-13(12)14;1-3-10(2)14-13-9-8-11-6-4-5-7-12(11)13;1-9(2)13-12-8-7-10-5-3-4-6-11(10)12/h4-13,18H,1-3H3;4-9,11-12,16H,10H2,1-3H3;4-12,17H,3H2,1-2H3;4-9,11,15H,3,10H2,1-2H3;3-8,10,14H,9H2,1-2H3;4-7,10-11,14H,8-9H2,1-3H3;4-7,10,13H,3,8-9H2,1-2H3;3-6,9,12H,7-8H2,1-2H3.
What are the key properties of 1-butan-2-yloxy-1,2-dihydroacenaphthylene;1-butan-2-yloxy-2,3-dihydro-1H-indene;9-butan-2-yloxy-9H-fluorene;1-(3-methylbutan-2-yloxy)-1,2-dihydroacenaphthylene;1-(3-methylbutan-2-yloxy)-2,3-dihydro-1H-indene;9-(3-methylbutan-2-yloxy)-9H-fluorene;1-propan-2-yloxy-1,2-dihydroacenaphthylene;1-propan-2-yloxy-2,3-dihydro-1H-indene?
1-butan-2-yloxy-1,2-dihydroacenaphthylene;1-butan-2-yloxy-2,3-dihydro-1H-indene;9-butan-2-yloxy-9H-fluorene;1-(3-methylbutan-2-yloxy)-1,2-dihydroacenaphthylene;1-(3-methylbutan-2-yloxy)-2,3-dihydro-1H-indene;9-(3-methylbutan-2-yloxy)-9H-fluorene;1-propan-2-yloxy-1,2-dihydroacenaphthylene;1-propan-2-yloxy-2,3-dihydro-1H-indene has a molecular weight of 1740.50 g/mol, XLogP of 32.32, 22 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yloxy-1,2-dihydroacenaphthylene;1-butan-2-yloxy-2,3-dihydro-1H-indene;9-butan-2-yloxy-9H-fluorene;1-(3-methylbutan-2-yloxy)-1,2-dihydroacenaphthylene;1-(3-methylbutan-2-yloxy)-2,3-dihydro-1H-indene;9-(3-methylbutan-2-yloxy)-9H-fluorene;1-propan-2-yloxy-1,2-dihydroacenaphthylene;1-propan-2-yloxy-2,3-dihydro-1H-indene is sourced from PubChem (CID 160875056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).