1-(cyclohexen-1-yl)-4-methylsulfanylbutan-1-ol

C11H20OS — CID 106651698

IUPAC1-(cyclohexen-1-yl)-4-methylsulfanylbutan-1-ol
SMILESCSCCCC(O)C1=CCCCC1
InChIInChI=1S/C11H20OS/c1-13-9-5-8-11(12)10-6-3-2-4-7-10/h6,11-12H,2-5,7-9H2,1H3
InChIKeyCCNKATJCEXDBSZ-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.99
Rot. Bonds5

About 1-(cyclohexen-1-yl)-4-methylsulfanylbutan-1-ol

1-(cyclohexen-1-yl)-4-methylsulfanylbutan-1-ol (PubChem CID 106651698) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-4-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-4-methylsulfanylbutan-1-ol
PubChem CID106651698
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name1-(cyclohexen-1-yl)-4-methylsulfanylbutan-1-ol
SMILESCSCCCC(O)C1=CCCCC1
InChIInChI=1S/C11H20OS/c1-13-9-5-8-11(12)10-6-3-2-4-7-10/h6,11-12H,2-5,7-9H2,1H3
InChIKeyCCNKATJCEXDBSZ-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Nonylphenol-d8
CID 129853604
(1R)-6-methylidene-3-propylcyclohex-2-en-1-ol
CID 10986439
(1S)-1-(cyclohexen-1-yl)butan-1-ol
CID 46910861
(1S)-3-propylcyclohex-2-en-1-ol
CID 101044327
d7-Propylphenol
CID 129830118
(1R)-3-butylcyclohex-2-en-1-ol
CID 130128768
(1R)-1-[2-[(E)-5-hydroxypent-3-enyl]-1,3-dithian-2-yl]hexan-1-ol
CID 135030457
(1S)-3-butylcyclohex-2-en-1-ol
CID 154715194
3-[2-(Trifluoromethylsulfanyl)ethyl]cyclohept-2-en-1-ol
CID 107383568
3-[2-(Trifluoromethylsulfanyl)ethyl]cyclohex-2-en-1-ol
CID 116627291
5,5-Dimethyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclohex-2-en-1-ol
CID 116627292
2-Cyclohexen-1-ol, 3-(2-methyl-m-dithian-2-yl)-
CID 615410

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-4-methylsulfanylbutan-1-ol?
The IUPAC name of 1-(cyclohexen-1-yl)-4-methylsulfanylbutan-1-ol (CID 106651698) is 1-(cyclohexen-1-yl)-4-methylsulfanylbutan-1-ol.
What is the SMILES notation for 1-(cyclohexen-1-yl)-4-methylsulfanylbutan-1-ol?
The canonical SMILES for 1-(cyclohexen-1-yl)-4-methylsulfanylbutan-1-ol is CSCCCC(O)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-4-methylsulfanylbutan-1-ol?
The InChIKey is CCNKATJCEXDBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS/c1-13-9-5-8-11(12)10-6-3-2-4-7-10/h6,11-12H,2-5,7-9H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-4-methylsulfanylbutan-1-ol?
1-(cyclohexen-1-yl)-4-methylsulfanylbutan-1-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-(cyclohexen-1-yl)-4-methylsulfanylbutan-1-ol is sourced from PubChem (CID 106651698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).