1-(2,3-dihydrothiophen-3-yl)hexan-1-ol

C10H18OS — CID 173031782

IUPAC1-(2,3-dihydrothiophen-3-yl)hexan-1-ol
SMILESCCCCCC(O)C1C=CSC1
InChIInChI=1S/C10H18OS/c1-2-3-4-5-10(11)9-6-7-12-8-9/h6-7,9-11H,2-5,8H2,1H3
InChIKeyBZCRYGWZTUPVNI-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.80
Rot. Bonds5

About 1-(2,3-dihydrothiophen-3-yl)hexan-1-ol

1-(2,3-dihydrothiophen-3-yl)hexan-1-ol (PubChem CID 173031782) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 1-(2,3-dihydrothiophen-3-yl)hexan-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydrothiophen-3-yl)hexan-1-ol
PubChem CID173031782
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name1-(2,3-dihydrothiophen-3-yl)hexan-1-ol
SMILESCCCCCC(O)C1C=CSC1
InChIInChI=1S/C10H18OS/c1-2-3-4-5-10(11)9-6-7-12-8-9/h6-7,9-11H,2-5,8H2,1H3
InChIKeyBZCRYGWZTUPVNI-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
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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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrothiophen-3-yl)hexan-1-ol?
The IUPAC name of 1-(2,3-dihydrothiophen-3-yl)hexan-1-ol (CID 173031782) is 1-(2,3-dihydrothiophen-3-yl)hexan-1-ol.
What is the SMILES notation for 1-(2,3-dihydrothiophen-3-yl)hexan-1-ol?
The canonical SMILES for 1-(2,3-dihydrothiophen-3-yl)hexan-1-ol is CCCCCC(O)C1C=CSC1.
What is the InChIKey of 1-(2,3-dihydrothiophen-3-yl)hexan-1-ol?
The InChIKey is BZCRYGWZTUPVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-2-3-4-5-10(11)9-6-7-12-8-9/h6-7,9-11H,2-5,8H2,1H3.
What are the key properties of 1-(2,3-dihydrothiophen-3-yl)hexan-1-ol?
1-(2,3-dihydrothiophen-3-yl)hexan-1-ol has a molecular weight of 186.32 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrothiophen-3-yl)hexan-1-ol is sourced from PubChem (CID 173031782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).