hexan-3-ol;thiophene

C10H18OS — CID 174528278

IUPAChexan-3-ol;thiophene
SMILESCCCC(O)CC.c1ccsc1
InChIInChI=1S/C6H14O.C4H4S/c1-3-5-6(7)4-2;1-2-4-5-3-1/h6-7H,3-5H2,1-2H3;1-4H
InChIKeyIPZVOKANQJVGAD-UHFFFAOYSA-N
MW186.32 g/mol
LogP3.31
Rot. Bonds3

About hexan-3-ol;thiophene

hexan-3-ol;thiophene (PubChem CID 174528278) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is hexan-3-ol;thiophene.

Molecular Properties

Compound Namehexan-3-ol;thiophene
PubChem CID174528278
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Namehexan-3-ol;thiophene
SMILESCCCC(O)CC.c1ccsc1
InChIInChI=1S/C6H14O.C4H4S/c1-3-5-6(7)4-2;1-2-4-5-3-1/h6-7H,3-5H2,1-2H3;1-4H
InChIKeyIPZVOKANQJVGAD-UHFFFAOYSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of hexan-3-ol;thiophene?
The IUPAC name of hexan-3-ol;thiophene (CID 174528278) is hexan-3-ol;thiophene.
What is the SMILES notation for hexan-3-ol;thiophene?
The canonical SMILES for hexan-3-ol;thiophene is CCCC(O)CC.c1ccsc1.
What is the InChIKey of hexan-3-ol;thiophene?
The InChIKey is IPZVOKANQJVGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.C4H4S/c1-3-5-6(7)4-2;1-2-4-5-3-1/h6-7H,3-5H2,1-2H3;1-4H.
What are the key properties of hexan-3-ol;thiophene?
hexan-3-ol;thiophene has a molecular weight of 186.32 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-3-ol;thiophene is sourced from PubChem (CID 174528278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).