1-[(E)-1-phenylsulfanyldodec-1-en-2-yl]cyclohexan-1-ol

C24H38OS — CID 134934708

IUPAC1-[(E)-1-phenylsulfanyldodec-1-en-2-yl]cyclohexan-1-ol
SMILESCCCCCCCCCC/C(=C\Sc1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C24H38OS/c1-2-3-4-5-6-7-8-11-16-22(24(25)19-14-10-15-20-24)21-26-23-17-12-9-13-18-23/h9,12-13,17-18,21,25H,2-8,10-11,14-16,19-20H2,1H3/b22-21+
InChIKeyUHGNQLLUWUFART-QURGRASLSA-N
MW374.63 g/mol
LogP7.89
Rot. Bonds12

About 1-[(E)-1-phenylsulfanyldodec-1-en-2-yl]cyclohexan-1-ol

1-[(E)-1-phenylsulfanyldodec-1-en-2-yl]cyclohexan-1-ol (PubChem CID 134934708) has the molecular formula C24H38OS and a molecular weight of 374.63 g/mol. Its IUPAC name is 1-[(E)-1-phenylsulfanyldodec-1-en-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(E)-1-phenylsulfanyldodec-1-en-2-yl]cyclohexan-1-ol
PubChem CID134934708
Molecular FormulaC24H38OS
Molecular Weight374.63 g/mol
Exact Mass374.26
IUPAC Name1-[(E)-1-phenylsulfanyldodec-1-en-2-yl]cyclohexan-1-ol
SMILESCCCCCCCCCC/C(=C\Sc1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C24H38OS/c1-2-3-4-5-6-7-8-11-16-22(24(25)19-14-10-15-20-24)21-26-23-17-12-9-13-18-23/h9,12-13,17-18,21,25H,2-8,10-11,14-16,19-20H2,1H3/b22-21+
InChIKeyUHGNQLLUWUFART-QURGRASLSA-N
XLogP7.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.63
LogP ≤ 57.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(E)-1-phenylsulfanyldodec-1-en-2-yl]cyclohexan-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

1-[(E)-1-phenyloct-1-enyl]cyclohexan-1-ol
CID 14571870
1-chloro-4-[(Z)-1-phenylsulfanyldec-1-en-2-yl]sulfanylbenzene
CID 134935365
1-(1-hydroxycyclohexyl)tridecan-1-one
CID 103449729
(2-dodecylphenyl)-(1-hydroxycyclohexyl)methanone
CID 158895030
non-1-enylsulfanylbenzene
CID 72760837
(1-octylcyclopropyl)sulfanylbenzene
CID 12950451
[(Z)-nonadec-9-en-9-yl]sulfanylbenzene
CID 100973714
[(E)-tridec-6-en-6-yl]sulfanylbenzene
CID 102371655
1-(1-phenylcyclohexyl)octan-1-amine
CID 63417810
dodecane;phenol
CID 157210063
(2R,3R)-2-heptyl-3-phenylsulfanyl-1-oxaspiro[4.5]decan-4-one
CID 11792893
[(Z)-1-methylsulfanylhept-1-en-2-yl]benzene
CID 11672996

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-phenylsulfanyldodec-1-en-2-yl]cyclohexan-1-ol?
The IUPAC name of 1-[(E)-1-phenylsulfanyldodec-1-en-2-yl]cyclohexan-1-ol (CID 134934708) is 1-[(E)-1-phenylsulfanyldodec-1-en-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(E)-1-phenylsulfanyldodec-1-en-2-yl]cyclohexan-1-ol?
The canonical SMILES for 1-[(E)-1-phenylsulfanyldodec-1-en-2-yl]cyclohexan-1-ol is CCCCCCCCCC/C(=C\Sc1ccccc1)C1(O)CCCCC1.
What is the InChIKey of 1-[(E)-1-phenylsulfanyldodec-1-en-2-yl]cyclohexan-1-ol?
The InChIKey is UHGNQLLUWUFART-QURGRASLSA-N. The full InChI is InChI=1S/C24H38OS/c1-2-3-4-5-6-7-8-11-16-22(24(25)19-14-10-15-20-24)21-26-23-17-12-9-13-18-23/h9,12-13,17-18,21,25H,2-8,10-11,14-16,19-20H2,1H3/b22-21+.
What are the key properties of 1-[(E)-1-phenylsulfanyldodec-1-en-2-yl]cyclohexan-1-ol?
1-[(E)-1-phenylsulfanyldodec-1-en-2-yl]cyclohexan-1-ol has a molecular weight of 374.63 g/mol, XLogP of 7.89, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-phenylsulfanyldodec-1-en-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 134934708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).