(E)-2-methyl-6-[4-(4-pentylcyclohexyl)cyclohexyl]hex-5-en-3-yn-2-ol

C24H40O — CID 20638161

IUPAC(E)-2-methyl-6-[4-(4-pentylcyclohexyl)cyclohexyl]hex-5-en-3-yn-2-ol
SMILESCCCCCC1CCC(C2CCC(/C=C/C#CC(C)(C)O)CC2)CC1
InChIInChI=1S/C24H40O/c1-4-5-6-9-20-11-15-22(16-12-20)23-17-13-21(14-18-23)10-7-8-19-24(2,3)25/h7,10,20-23,25H,4-6,9,11-18H2,1-3H3/b10-7+
InChIKeySZZLANSORKRGBE-JXMROGBWSA-N
MW344.58 g/mol
LogP6.51
Rot. Bonds6

About (E)-2-methyl-6-[4-(4-pentylcyclohexyl)cyclohexyl]hex-5-en-3-yn-2-ol

(E)-2-methyl-6-[4-(4-pentylcyclohexyl)cyclohexyl]hex-5-en-3-yn-2-ol (PubChem CID 20638161) has the molecular formula C24H40O and a molecular weight of 344.58 g/mol. Its IUPAC name is (E)-2-methyl-6-[4-(4-pentylcyclohexyl)cyclohexyl]hex-5-en-3-yn-2-ol.

Molecular Properties

Compound Name(E)-2-methyl-6-[4-(4-pentylcyclohexyl)cyclohexyl]hex-5-en-3-yn-2-ol
PubChem CID20638161
Molecular FormulaC24H40O
Molecular Weight344.58 g/mol
Exact Mass344.31
IUPAC Name(E)-2-methyl-6-[4-(4-pentylcyclohexyl)cyclohexyl]hex-5-en-3-yn-2-ol
SMILESCCCCCC1CCC(C2CCC(/C=C/C#CC(C)(C)O)CC2)CC1
InChIInChI=1S/C24H40O/c1-4-5-6-9-20-11-15-22(16-12-20)23-17-13-21(14-18-23)10-7-8-19-24(2,3)25/h7,10,20-23,25H,4-6,9,11-18H2,1-3H3/b10-7+
InChIKeySZZLANSORKRGBE-JXMROGBWSA-N
XLogP6.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.58
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-2-methyl-6-[4-(4-pentylcyclohexyl)cyclohexyl]hex-5-en-3-yn-2-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

1-pentyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
CID 20594578
1-butyl-4-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]cyclohexane
CID 139659740
1-pentyl-4-[4-[(E)-2-(4-prop-1-en-2-ylcyclohexyl)ethenyl]cyclohexyl]cyclohexane
CID 142281934
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-(3-methoxyprop-1-enyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54047469
1-hex-1-en-5-ynyl-4-(4-pentylcyclohexyl)cyclohexane
CID 139777145
1-butyl-4-[4-(4-ethylcyclohexyl)but-3-en-1-ynyl]cyclohexane
CID 54292097
1-(difluoromethyl)-4-[4-(4-pentylcyclohexyl)but-3-en-1-ynyl]cyclohexane
CID 54354889
1-butyl-4-[4-(4-decylcyclohexyl)cyclohexyl]cyclohexane
CID 54137563
5-[4-(4-butylcyclohexyl)cyclohexyl]penta-2,4-dienenitrile
CID 54450686

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-6-[4-(4-pentylcyclohexyl)cyclohexyl]hex-5-en-3-yn-2-ol?
The IUPAC name of (E)-2-methyl-6-[4-(4-pentylcyclohexyl)cyclohexyl]hex-5-en-3-yn-2-ol (CID 20638161) is (E)-2-methyl-6-[4-(4-pentylcyclohexyl)cyclohexyl]hex-5-en-3-yn-2-ol.
What is the SMILES notation for (E)-2-methyl-6-[4-(4-pentylcyclohexyl)cyclohexyl]hex-5-en-3-yn-2-ol?
The canonical SMILES for (E)-2-methyl-6-[4-(4-pentylcyclohexyl)cyclohexyl]hex-5-en-3-yn-2-ol is CCCCCC1CCC(C2CCC(/C=C/C#CC(C)(C)O)CC2)CC1.
What is the InChIKey of (E)-2-methyl-6-[4-(4-pentylcyclohexyl)cyclohexyl]hex-5-en-3-yn-2-ol?
The InChIKey is SZZLANSORKRGBE-JXMROGBWSA-N. The full InChI is InChI=1S/C24H40O/c1-4-5-6-9-20-11-15-22(16-12-20)23-17-13-21(14-18-23)10-7-8-19-24(2,3)25/h7,10,20-23,25H,4-6,9,11-18H2,1-3H3/b10-7+.
What are the key properties of (E)-2-methyl-6-[4-(4-pentylcyclohexyl)cyclohexyl]hex-5-en-3-yn-2-ol?
(E)-2-methyl-6-[4-(4-pentylcyclohexyl)cyclohexyl]hex-5-en-3-yn-2-ol has a molecular weight of 344.58 g/mol, XLogP of 6.51, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-6-[4-(4-pentylcyclohexyl)cyclohexyl]hex-5-en-3-yn-2-ol is sourced from PubChem (CID 20638161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).