1-cyclohexylsulfanylpent-4-en-2-ol

C11H20OS — CID 65140041

IUPAC1-cyclohexylsulfanylpent-4-en-2-ol
SMILESC=CCC(O)CSC1CCCCC1
InChIInChI=1S/C11H20OS/c1-2-6-10(12)9-13-11-7-4-3-5-8-11/h2,10-12H,1,3-9H2
InChIKeyYGUIXMRDDFCGJT-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.99
Rot. Bonds5

About 1-cyclohexylsulfanylpent-4-en-2-ol

1-cyclohexylsulfanylpent-4-en-2-ol (PubChem CID 65140041) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 1-cyclohexylsulfanylpent-4-en-2-ol.

Molecular Properties

Compound Name1-cyclohexylsulfanylpent-4-en-2-ol
PubChem CID65140041
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name1-cyclohexylsulfanylpent-4-en-2-ol
SMILESC=CCC(O)CSC1CCCCC1
InChIInChI=1S/C11H20OS/c1-2-6-10(12)9-13-11-7-4-3-5-8-11/h2,10-12H,1,3-9H2
InChIKeyYGUIXMRDDFCGJT-UHFFFAOYSA-N
XLogP2.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfanylpent-4-en-2-ol?
The IUPAC name of 1-cyclohexylsulfanylpent-4-en-2-ol (CID 65140041) is 1-cyclohexylsulfanylpent-4-en-2-ol.
What is the SMILES notation for 1-cyclohexylsulfanylpent-4-en-2-ol?
The canonical SMILES for 1-cyclohexylsulfanylpent-4-en-2-ol is C=CCC(O)CSC1CCCCC1.
What is the InChIKey of 1-cyclohexylsulfanylpent-4-en-2-ol?
The InChIKey is YGUIXMRDDFCGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS/c1-2-6-10(12)9-13-11-7-4-3-5-8-11/h2,10-12H,1,3-9H2.
What are the key properties of 1-cyclohexylsulfanylpent-4-en-2-ol?
1-cyclohexylsulfanylpent-4-en-2-ol has a molecular weight of 200.35 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfanylpent-4-en-2-ol is sourced from PubChem (CID 65140041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).