4-[4-(10-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)cyclohexyl]cyclohexan-1-ol

C32H54O — CID 143426222

IUPAC4-[4-(10-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)cyclohexyl]cyclohexan-1-ol
SMILESOC1CCC(C2CCC(C3C4CCCCC4C(C4CCCCC4)C4CCCCC43)CC2)CC1
InChIInChI=1S/C32H54O/c33-26-20-18-23(19-21-26)22-14-16-25(17-15-22)32-29-12-6-4-10-27(29)31(24-8-2-1-3-9-24)28-11-5-7-13-30(28)32/h22-33H,1-21H2
InChIKeyMZPYKOUCCVOLRH-UHFFFAOYSA-N
MW454.78 g/mol
LogP8.78
Rot. Bonds3

About 4-[4-(10-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)cyclohexyl]cyclohexan-1-ol

4-[4-(10-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)cyclohexyl]cyclohexan-1-ol (PubChem CID 143426222) has the molecular formula C32H54O and a molecular weight of 454.78 g/mol. Its IUPAC name is 4-[4-(10-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)cyclohexyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[4-(10-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)cyclohexyl]cyclohexan-1-ol
PubChem CID143426222
Molecular FormulaC32H54O
Molecular Weight454.78 g/mol
Exact Mass454.42
IUPAC Name4-[4-(10-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)cyclohexyl]cyclohexan-1-ol
SMILESOC1CCC(C2CCC(C3C4CCCCC4C(C4CCCCC4)C4CCCCC43)CC2)CC1
InChIInChI=1S/C32H54O/c33-26-20-18-23(19-21-26)22-14-16-25(17-15-22)32-29-12-6-4-10-27(29)31(24-8-2-1-3-9-24)28-11-5-7-13-30(28)32/h22-33H,1-21H2
InChIKeyMZPYKOUCCVOLRH-UHFFFAOYSA-N
XLogP8.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.78
LogP ≤ 58.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-[4-(10-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)cyclohexyl]cyclohexan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

4-cyclobutylcyclohexan-1-ol
CID 116963310
4-cyclohexylcyclohexan-1-ol;(4-cyclohexylcyclohexyl)methanol
CID 145126391
3-(10-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)cyclohexan-1-ol;hypobromous acid
CID 142004592
3-cyclohexylcyclopentan-1-ol
CID 64515309
9-bromo-10-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 90966230
1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane
CID 123286414
(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
CID 7188325
(2S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
CID 640668
2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-1-ol
CID 142978793
tricyclo[11.9.0.05,8]docosane
CID 123241919
pentacyclo[23.18.0.05,21.08,16.029,41]tritetracontane
CID 123459742
cyclohexanol;cyclooctanol
CID 22461579

Frequently Asked Questions

What is the IUPAC name of 4-[4-(10-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)cyclohexyl]cyclohexan-1-ol?
The IUPAC name of 4-[4-(10-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)cyclohexyl]cyclohexan-1-ol (CID 143426222) is 4-[4-(10-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)cyclohexyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[4-(10-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)cyclohexyl]cyclohexan-1-ol?
The canonical SMILES for 4-[4-(10-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)cyclohexyl]cyclohexan-1-ol is OC1CCC(C2CCC(C3C4CCCCC4C(C4CCCCC4)C4CCCCC43)CC2)CC1.
What is the InChIKey of 4-[4-(10-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)cyclohexyl]cyclohexan-1-ol?
The InChIKey is MZPYKOUCCVOLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H54O/c33-26-20-18-23(19-21-26)22-14-16-25(17-15-22)32-29-12-6-4-10-27(29)31(24-8-2-1-3-9-24)28-11-5-7-13-30(28)32/h22-33H,1-21H2.
What are the key properties of 4-[4-(10-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)cyclohexyl]cyclohexan-1-ol?
4-[4-(10-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)cyclohexyl]cyclohexan-1-ol has a molecular weight of 454.78 g/mol, XLogP of 8.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(10-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)cyclohexyl]cyclohexan-1-ol is sourced from PubChem (CID 143426222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).