1-cyclopentylsulfanylhept-5-yn-2-ol

C12H20OS — CID 104803851

IUPAC1-cyclopentylsulfanylhept-5-yn-2-ol
SMILESCC#CCCC(O)CSC1CCCC1
InChIInChI=1S/C12H20OS/c1-2-3-4-7-11(13)10-14-12-8-5-6-9-12/h11-13H,4-10H2,1H3
InChIKeyONWNSEACOBUTBY-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.83
Rot. Bonds5

About 1-cyclopentylsulfanylhept-5-yn-2-ol

1-cyclopentylsulfanylhept-5-yn-2-ol (PubChem CID 104803851) has the molecular formula C12H20OS and a molecular weight of 212.36 g/mol. Its IUPAC name is 1-cyclopentylsulfanylhept-5-yn-2-ol.

Molecular Properties

Compound Name1-cyclopentylsulfanylhept-5-yn-2-ol
PubChem CID104803851
Molecular FormulaC12H20OS
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name1-cyclopentylsulfanylhept-5-yn-2-ol
SMILESCC#CCCC(O)CSC1CCCC1
InChIInChI=1S/C12H20OS/c1-2-3-4-7-11(13)10-14-12-8-5-6-9-12/h11-13H,4-10H2,1H3
InChIKeyONWNSEACOBUTBY-UHFFFAOYSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexylsulfanylhept-5-yn-2-amine
CID 104805920
1-cyclopentyloct-6-yn-3-ol
CID 115833783
1-cycloheptylhept-5-yn-2-ol
CID 115833770
4-cyclohexyl-1-cyclohexylsulfanylbutan-2-ol
CID 57068108
1-propan-2-ylsulfanylhept-5-yn-2-ol
CID 104803843
1-(propan-2-ylamino)hept-5-yn-2-ol
CID 104813059
1-(ethylamino)hept-5-yn-2-ol
CID 104813053
1-cyclopentylsulfanyl-3-(4-ethylphenyl)propan-2-ol
CID 65138544
1-(2-methylcyclopentyl)hex-4-yn-1-ol
CID 107192887
2-cyclohexylsulfanyl-1-cyclopropylethanol
CID 65139988
1-cyclohexylsulfanyl-4-thiophen-3-ylbutan-2-ol
CID 65139939
1-cyclobutyl-N-methylhex-4-yn-1-amine
CID 104805821

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfanylhept-5-yn-2-ol?
The IUPAC name of 1-cyclopentylsulfanylhept-5-yn-2-ol (CID 104803851) is 1-cyclopentylsulfanylhept-5-yn-2-ol.
What is the SMILES notation for 1-cyclopentylsulfanylhept-5-yn-2-ol?
The canonical SMILES for 1-cyclopentylsulfanylhept-5-yn-2-ol is CC#CCCC(O)CSC1CCCC1.
What is the InChIKey of 1-cyclopentylsulfanylhept-5-yn-2-ol?
The InChIKey is ONWNSEACOBUTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OS/c1-2-3-4-7-11(13)10-14-12-8-5-6-9-12/h11-13H,4-10H2,1H3.
What are the key properties of 1-cyclopentylsulfanylhept-5-yn-2-ol?
1-cyclopentylsulfanylhept-5-yn-2-ol has a molecular weight of 212.36 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfanylhept-5-yn-2-ol is sourced from PubChem (CID 104803851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).