3-hexyl-2,3-dihydrothiophen-2-ol

C10H18OS — CID 143882626

IUPAC3-hexyl-2,3-dihydrothiophen-2-ol
SMILESCCCCCCC1C=CSC1O
InChIInChI=1S/C10H18OS/c1-2-3-4-5-6-9-7-8-12-10(9)11/h7-11H,2-6H2,1H3
InChIKeyKFZICOCFOLEZGC-UHFFFAOYSA-N
MW186.32 g/mol
LogP3.15
Rot. Bonds5

About 3-hexyl-2,3-dihydrothiophen-2-ol

3-hexyl-2,3-dihydrothiophen-2-ol (PubChem CID 143882626) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 3-hexyl-2,3-dihydrothiophen-2-ol.

Molecular Properties

Compound Name3-hexyl-2,3-dihydrothiophen-2-ol
PubChem CID143882626
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name3-hexyl-2,3-dihydrothiophen-2-ol
SMILESCCCCCCC1C=CSC1O
InChIInChI=1S/C10H18OS/c1-2-3-4-5-6-9-7-8-12-10(9)11/h7-11H,2-6H2,1H3
InChIKeyKFZICOCFOLEZGC-UHFFFAOYSA-N
XLogP3.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 53.15
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

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3-(Thian-2-yl)hex-5-en-1-ol
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1-(2,3-Dihydrothiophen-2-yl)-5-methylhexan-3-ol
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2-(2-decyl-3H-thiophen-2-yl)ethanol
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2,2-Dimethyl-5-(1-oxo-2,3-dihydrothiophen-2-yl)pentan-1-ol
CID 141053059
2,2-Dimethyl-6-(1-oxo-2,3-dihydrothiophen-2-yl)hexan-1-ol
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2-(5-methylidene-3,4-dihydro-2H-thiepin-2-yl)butan-1-ol
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1-(2,3-Dihydrothiophen-3-yl)hexan-1-ol
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1-(2,3-Dihydrothiophen-3-yl)-3-ethylheptan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 3-hexyl-2,3-dihydrothiophen-2-ol?
The IUPAC name of 3-hexyl-2,3-dihydrothiophen-2-ol (CID 143882626) is 3-hexyl-2,3-dihydrothiophen-2-ol.
What is the SMILES notation for 3-hexyl-2,3-dihydrothiophen-2-ol?
The canonical SMILES for 3-hexyl-2,3-dihydrothiophen-2-ol is CCCCCCC1C=CSC1O.
What is the InChIKey of 3-hexyl-2,3-dihydrothiophen-2-ol?
The InChIKey is KFZICOCFOLEZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-2-3-4-5-6-9-7-8-12-10(9)11/h7-11H,2-6H2,1H3.
What are the key properties of 3-hexyl-2,3-dihydrothiophen-2-ol?
3-hexyl-2,3-dihydrothiophen-2-ol has a molecular weight of 186.32 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-2,3-dihydrothiophen-2-ol is sourced from PubChem (CID 143882626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).