1-[4-(4-methylcyclohexyl)-1-[(4-methylcyclohexyl)methyl]cyclohexyl]prop-2-yn-1-ol

C24H40O — CID 21365324

IUPAC1-[4-(4-methylcyclohexyl)-1-[(4-methylcyclohexyl)methyl]cyclohexyl]prop-2-yn-1-ol
SMILESC#CC(O)C1(CC2CCC(C)CC2)CCC(C2CCC(C)CC2)CC1
InChIInChI=1S/C24H40O/c1-4-23(25)24(17-20-9-5-18(2)6-10-20)15-13-22(14-16-24)21-11-7-19(3)8-12-21/h1,18-23,25H,5-17H2,2-3H3
InChIKeyJKRPKXFIBXQAJH-UHFFFAOYSA-N
MW344.58 g/mol
LogP6.20
Rot. Bonds4

About 1-[4-(4-methylcyclohexyl)-1-[(4-methylcyclohexyl)methyl]cyclohexyl]prop-2-yn-1-ol

1-[4-(4-methylcyclohexyl)-1-[(4-methylcyclohexyl)methyl]cyclohexyl]prop-2-yn-1-ol (PubChem CID 21365324) has the molecular formula C24H40O and a molecular weight of 344.58 g/mol. Its IUPAC name is 1-[4-(4-methylcyclohexyl)-1-[(4-methylcyclohexyl)methyl]cyclohexyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name1-[4-(4-methylcyclohexyl)-1-[(4-methylcyclohexyl)methyl]cyclohexyl]prop-2-yn-1-ol
PubChem CID21365324
Molecular FormulaC24H40O
Molecular Weight344.58 g/mol
Exact Mass344.31
IUPAC Name1-[4-(4-methylcyclohexyl)-1-[(4-methylcyclohexyl)methyl]cyclohexyl]prop-2-yn-1-ol
SMILESC#CC(O)C1(CC2CCC(C)CC2)CCC(C2CCC(C)CC2)CC1
InChIInChI=1S/C24H40O/c1-4-23(25)24(17-20-9-5-18(2)6-10-20)15-13-22(14-16-24)21-11-7-19(3)8-12-21/h1,18-23,25H,5-17H2,2-3H3
InChIKeyJKRPKXFIBXQAJH-UHFFFAOYSA-N
XLogP6.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.58
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[4-(4-methylcyclohexyl)-1-[(4-methylcyclohexyl)methyl]cyclohexyl]prop-2-yn-1-ol with MolForge

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Related Compounds

{4-Ethynylbicyclo[2.2.2]octan-1-yl}methanol
CID 86114374
(2S,4aS,4bS,8S,8aR,10aS)-8-but-3-ynyl-4a,7-dimethyl-1,2,3,4,4b,5,6,8,8a,9,10,10a-dodecahydrophenanthrene-2,7-diol
CID 13072948
3-Dimenthyl-2-butanol
CID 129692168
CID 168350752
CID 168350752
2-(4-Cyclohexyl-4-methylpentan-2-yl)cyclohexan-1-ol
CID 139594590
4-Tert-butyl-1-(3-hydroxydodec-1-ynyl)cyclohexan-1-ol
CID 15695906
trans-4-(trans-4-(trans-4-Propylcyclohexyl)cyclohexyl)cyclohexanol
CID 13999106
4-[2-[4-[2-(4-Hydroxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-ol
CID 14204906
4-[2-[3-[2-(4-Hydroxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-ol
CID 14204907
cis-(1R,3S)-3-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexan-1-ol
CID 18640315
cis-(1R,3S)-3-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexan-1-ol
CID 18640316
cis-(1R,3S)-3-[4-(4-heptylcyclohexyl)cyclohexyl]cyclohexan-1-ol
CID 18640317

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylcyclohexyl)-1-[(4-methylcyclohexyl)methyl]cyclohexyl]prop-2-yn-1-ol?
The IUPAC name of 1-[4-(4-methylcyclohexyl)-1-[(4-methylcyclohexyl)methyl]cyclohexyl]prop-2-yn-1-ol (CID 21365324) is 1-[4-(4-methylcyclohexyl)-1-[(4-methylcyclohexyl)methyl]cyclohexyl]prop-2-yn-1-ol.
What is the SMILES notation for 1-[4-(4-methylcyclohexyl)-1-[(4-methylcyclohexyl)methyl]cyclohexyl]prop-2-yn-1-ol?
The canonical SMILES for 1-[4-(4-methylcyclohexyl)-1-[(4-methylcyclohexyl)methyl]cyclohexyl]prop-2-yn-1-ol is C#CC(O)C1(CC2CCC(C)CC2)CCC(C2CCC(C)CC2)CC1.
What is the InChIKey of 1-[4-(4-methylcyclohexyl)-1-[(4-methylcyclohexyl)methyl]cyclohexyl]prop-2-yn-1-ol?
The InChIKey is JKRPKXFIBXQAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O/c1-4-23(25)24(17-20-9-5-18(2)6-10-20)15-13-22(14-16-24)21-11-7-19(3)8-12-21/h1,18-23,25H,5-17H2,2-3H3.
What are the key properties of 1-[4-(4-methylcyclohexyl)-1-[(4-methylcyclohexyl)methyl]cyclohexyl]prop-2-yn-1-ol?
1-[4-(4-methylcyclohexyl)-1-[(4-methylcyclohexyl)methyl]cyclohexyl]prop-2-yn-1-ol has a molecular weight of 344.58 g/mol, XLogP of 6.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylcyclohexyl)-1-[(4-methylcyclohexyl)methyl]cyclohexyl]prop-2-yn-1-ol is sourced from PubChem (CID 21365324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).