8-[6,7-dihexyl-1-(8-hydroxyoctyl)-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]octan-1-ol;9,10-di(nonyl)octadecane-1,18-diol;8-[4-hexyl-2-(8-hydroxyoctyl)-3-octylcyclohexyl]octan-1-ol

C111H222O6 — CID 157481645

IUPAC8-[6,7-dihexyl-1-(8-hydroxyoctyl)-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]octan-1-ol;9,10-di(nonyl)octadecane-1,18-diol;8-[4-hexyl-2-(8-hydroxyoctyl)-3-octylcyclohexyl]octan-1-ol
SMILESCCCCCCC1CC2CC(C)C(CCCCCCCCO)C(CCCCCCCCO)C2CC1CCCCCC.CCCCCCCCC1C(CCCCCC)CCC(CCCCCCCCO)C1CCCCCCCCO.CCCCCCCCCC(CCCCCCCCO)C(CCCCCCCCC)CCCCCCCCO
InChIInChI=1S/C39H76O2.C36H72O2.C36H74O2/c1-4-6-8-18-24-34-31-36-30-33(3)37(26-20-14-10-12-16-22-28-40)38(27-21-15-11-13-17-23-29-41)39(36)32-35(34)25-19-9-7-5-2;1-3-5-7-9-15-21-27-35-33(25-19-8-6-4-2)29-30-34(26-20-14-10-12-17-23-31-37)36(35)28-22-16-11-13-18-24-32-38;1-3-5-7-9-11-17-23-29-35(31-25-19-13-15-21-27-33-37)36(30-24-18-12-10-8-6-4-2)32-26-20-14-16-22-28-34-38/h33-41H,4-32H2,1-3H3;33-38H,3-32H2,1-2H3;35-38H,3-34H2,1-2H3
InChIKeyBWFOJQYHPRBZFA-UHFFFAOYSA-N
MW1652.99 g/mol
LogP35.26
Rot. Bonds87

About 8-[6,7-dihexyl-1-(8-hydroxyoctyl)-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]octan-1-ol;9,10-di(nonyl)octadecane-1,18-diol;8-[4-hexyl-2-(8-hydroxyoctyl)-3-octylcyclohexyl]octan-1-ol

8-[6,7-dihexyl-1-(8-hydroxyoctyl)-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]octan-1-ol;9,10-di(nonyl)octadecane-1,18-diol;8-[4-hexyl-2-(8-hydroxyoctyl)-3-octylcyclohexyl]octan-1-ol (PubChem CID 157481645) has the molecular formula C111H222O6 and a molecular weight of 1652.99 g/mol. Its IUPAC name is 8-[6,7-dihexyl-1-(8-hydroxyoctyl)-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]octan-1-ol;9,10-di(nonyl)octadecane-1,18-diol;8-[4-hexyl-2-(8-hydroxyoctyl)-3-octylcyclohexyl]octan-1-ol.

Molecular Properties

Compound Name8-[6,7-dihexyl-1-(8-hydroxyoctyl)-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]octan-1-ol;9,10-di(nonyl)octadecane-1,18-diol;8-[4-hexyl-2-(8-hydroxyoctyl)-3-octylcyclohexyl]octan-1-ol
PubChem CID157481645
Molecular FormulaC111H222O6
Molecular Weight1652.99 g/mol
Exact Mass1651.71
IUPAC Name8-[6,7-dihexyl-1-(8-hydroxyoctyl)-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]octan-1-ol;9,10-di(nonyl)octadecane-1,18-diol;8-[4-hexyl-2-(8-hydroxyoctyl)-3-octylcyclohexyl]octan-1-ol
SMILESCCCCCCC1CC2CC(C)C(CCCCCCCCO)C(CCCCCCCCO)C2CC1CCCCCC.CCCCCCCCC1C(CCCCCC)CCC(CCCCCCCCO)C1CCCCCCCCO.CCCCCCCCCC(CCCCCCCCO)C(CCCCCCCCC)CCCCCCCCO
InChIInChI=1S/C39H76O2.C36H72O2.C36H74O2/c1-4-6-8-18-24-34-31-36-30-33(3)37(26-20-14-10-12-16-22-28-40)38(27-21-15-11-13-17-23-29-41)39(36)32-35(34)25-19-9-7-5-2;1-3-5-7-9-15-21-27-35-33(25-19-8-6-4-2)29-30-34(26-20-14-10-12-17-23-31-37)36(35)28-22-16-11-13-18-24-32-38;1-3-5-7-9-11-17-23-29-35(31-25-19-13-15-21-27-33-37)36(30-24-18-12-10-8-6-4-2)32-26-20-14-16-22-28-34-38/h33-41H,4-32H2,1-3H3;33-38H,3-32H2,1-2H3;35-38H,3-34H2,1-2H3
InChIKeyBWFOJQYHPRBZFA-UHFFFAOYSA-N
XLogP35.26
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds87
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001652.99
LogP ≤ 535.26
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 8-[6,7-dihexyl-1-(8-hydroxyoctyl)-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]octan-1-ol;9,10-di(nonyl)octadecane-1,18-diol;8-[4-hexyl-2-(8-hydroxyoctyl)-3-octylcyclohexyl]octan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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CID 10923562
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CID 158829822
7-(2-amino-5-hexylcyclopentyl)heptan-1-ol
CID 23220320
8-[1-(7-carboxyheptyl)-6,7-dipentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]octanoic acid
CID 20626771
3,6-dimethyl-2-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-thiol
CID 135265546
hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;1-hexyl-2,3,4-trioctylcyclohexane
CID 158828097
1-hexyl-2-methyl-5-(5-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 21339600
2-[(1S,2S)-2-hexylcyclopropyl]ethanol
CID 71388478
(2,3-dihexyl-6-nonylcyclohexyl)methanamine
CID 161402447
8-[2-(8-aminooctyl)-3,4-dioctylcyclohexyl]octan-1-amine
CID 156680959
3-ethyl-1-hexyl-4-methyl-2-propylcyclohexane
CID 123913316
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CID 10631306

Frequently Asked Questions

What is the IUPAC name of 8-[6,7-dihexyl-1-(8-hydroxyoctyl)-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]octan-1-ol;9,10-di(nonyl)octadecane-1,18-diol;8-[4-hexyl-2-(8-hydroxyoctyl)-3-octylcyclohexyl]octan-1-ol?
The IUPAC name of 8-[6,7-dihexyl-1-(8-hydroxyoctyl)-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]octan-1-ol;9,10-di(nonyl)octadecane-1,18-diol;8-[4-hexyl-2-(8-hydroxyoctyl)-3-octylcyclohexyl]octan-1-ol (CID 157481645) is 8-[6,7-dihexyl-1-(8-hydroxyoctyl)-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]octan-1-ol;9,10-di(nonyl)octadecane-1,18-diol;8-[4-hexyl-2-(8-hydroxyoctyl)-3-octylcyclohexyl]octan-1-ol.
What is the SMILES notation for 8-[6,7-dihexyl-1-(8-hydroxyoctyl)-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]octan-1-ol;9,10-di(nonyl)octadecane-1,18-diol;8-[4-hexyl-2-(8-hydroxyoctyl)-3-octylcyclohexyl]octan-1-ol?
The canonical SMILES for 8-[6,7-dihexyl-1-(8-hydroxyoctyl)-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]octan-1-ol;9,10-di(nonyl)octadecane-1,18-diol;8-[4-hexyl-2-(8-hydroxyoctyl)-3-octylcyclohexyl]octan-1-ol is CCCCCCC1CC2CC(C)C(CCCCCCCCO)C(CCCCCCCCO)C2CC1CCCCCC.CCCCCCCCC1C(CCCCCC)CCC(CCCCCCCCO)C1CCCCCCCCO.CCCCCCCCCC(CCCCCCCCO)C(CCCCCCCCC)CCCCCCCCO.
What is the InChIKey of 8-[6,7-dihexyl-1-(8-hydroxyoctyl)-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]octan-1-ol;9,10-di(nonyl)octadecane-1,18-diol;8-[4-hexyl-2-(8-hydroxyoctyl)-3-octylcyclohexyl]octan-1-ol?
The InChIKey is BWFOJQYHPRBZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H76O2.C36H72O2.C36H74O2/c1-4-6-8-18-24-34-31-36-30-33(3)37(26-20-14-10-12-16-22-28-40)38(27-21-15-11-13-17-23-29-41)39(36)32-35(34)25-19-9-7-5-2;1-3-5-7-9-15-21-27-35-33(25-19-8-6-4-2)29-30-34(26-20-14-10-12-17-23-31-37)36(35)28-22-16-11-13-18-24-32-38;1-3-5-7-9-11-17-23-29-35(31-25-19-13-15-21-27-33-37)36(30-24-18-12-10-8-6-4-2)32-26-20-14-16-22-28-34-38/h33-41H,4-32H2,1-3H3;33-38H,3-32H2,1-2H3;35-38H,3-34H2,1-2H3.
What are the key properties of 8-[6,7-dihexyl-1-(8-hydroxyoctyl)-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]octan-1-ol;9,10-di(nonyl)octadecane-1,18-diol;8-[4-hexyl-2-(8-hydroxyoctyl)-3-octylcyclohexyl]octan-1-ol?
8-[6,7-dihexyl-1-(8-hydroxyoctyl)-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]octan-1-ol;9,10-di(nonyl)octadecane-1,18-diol;8-[4-hexyl-2-(8-hydroxyoctyl)-3-octylcyclohexyl]octan-1-ol has a molecular weight of 1652.99 g/mol, XLogP of 35.26, 87 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6,7-dihexyl-1-(8-hydroxyoctyl)-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]octan-1-ol;9,10-di(nonyl)octadecane-1,18-diol;8-[4-hexyl-2-(8-hydroxyoctyl)-3-octylcyclohexyl]octan-1-ol is sourced from PubChem (CID 157481645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).