1-cyclopentyl-4-ethylsulfanylbutan-2-ol

C11H22OS — CID 116504666

IUPAC1-cyclopentyl-4-ethylsulfanylbutan-2-ol
SMILESCCSCCC(O)CC1CCCC1
InChIInChI=1S/C11H22OS/c1-2-13-8-7-11(12)9-10-5-3-4-6-10/h10-12H,2-9H2,1H3
InChIKeyMHJSLIFOLLLCRZ-UHFFFAOYSA-N
MW202.36 g/mol
LogP3.07
Rot. Bonds6

About 1-cyclopentyl-4-ethylsulfanylbutan-2-ol

1-cyclopentyl-4-ethylsulfanylbutan-2-ol (PubChem CID 116504666) has the molecular formula C11H22OS and a molecular weight of 202.36 g/mol. Its IUPAC name is 1-cyclopentyl-4-ethylsulfanylbutan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-4-ethylsulfanylbutan-2-ol
PubChem CID116504666
Molecular FormulaC11H22OS
Molecular Weight202.36 g/mol
Exact Mass202.14
IUPAC Name1-cyclopentyl-4-ethylsulfanylbutan-2-ol
SMILESCCSCCC(O)CC1CCCC1
InChIInChI=1S/C11H22OS/c1-2-13-8-7-11(12)9-10-5-3-4-6-10/h10-12H,2-9H2,1H3
InChIKeyMHJSLIFOLLLCRZ-UHFFFAOYSA-N
XLogP3.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-3-(4-ethylsulfanylbutan-2-ylamino)propan-2-ol
CID 103158383
1-cyclopentyl-4-methylsulfanylbutan-2-ol
CID 65148807
(2R)-1-cyclohexylbutan-2-ol
CID 59949714
1-cycloheptyl-5-methylhexan-2-ol
CID 115783773
1-cycloheptyloctan-2-ol
CID 115783533
1-cyclopentyl-7-methyloctane-2,5-diol
CID 103160953
7-cyclopentyl-6-hydroxyheptan-3-one
CID 103159212
2-ethylsulfanylethylcyclohexane
CID 89032228
1-cycloheptylhept-5-yn-2-ol
CID 115833770
3-ethylsulfanyl-1-(oxan-3-yl)propan-1-ol
CID 107135741
1-(3-aminopropylsulfanyl)-3-cyclopentylpropan-2-ol
CID 103158859
1-cyclohexylpent-4-en-2-ol
CID 13166988

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-ethylsulfanylbutan-2-ol?
The IUPAC name of 1-cyclopentyl-4-ethylsulfanylbutan-2-ol (CID 116504666) is 1-cyclopentyl-4-ethylsulfanylbutan-2-ol.
What is the SMILES notation for 1-cyclopentyl-4-ethylsulfanylbutan-2-ol?
The canonical SMILES for 1-cyclopentyl-4-ethylsulfanylbutan-2-ol is CCSCCC(O)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-4-ethylsulfanylbutan-2-ol?
The InChIKey is MHJSLIFOLLLCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OS/c1-2-13-8-7-11(12)9-10-5-3-4-6-10/h10-12H,2-9H2,1H3.
What are the key properties of 1-cyclopentyl-4-ethylsulfanylbutan-2-ol?
1-cyclopentyl-4-ethylsulfanylbutan-2-ol has a molecular weight of 202.36 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-ethylsulfanylbutan-2-ol is sourced from PubChem (CID 116504666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).