hexan-2-ol

C6H14O — CID 12297

IUPAChexan-2-ol
SMILESCCCCC(C)O
InChIInChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3
InChIKeyQNVRIHYSUZMSGM-UHFFFAOYSA-N
MW102.18 g/mol
LogP1.56
Rot. Bonds3

About hexan-2-ol

hexan-2-ol (PubChem CID 12297) has the molecular formula C6H14O and a molecular weight of 102.18 g/mol. Its IUPAC name is hexan-2-ol.

Molecular Properties

Compound Namehexan-2-ol
PubChem CID12297
Molecular FormulaC6H14O
Molecular Weight102.18 g/mol
Exact Mass102.10
IUPAC Namehexan-2-ol
SMILESCCCCC(C)O
InChIInChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3
InChIKeyQNVRIHYSUZMSGM-UHFFFAOYSA-N
XLogP1.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.18
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of hexan-2-ol?
The IUPAC name of hexan-2-ol (CID 12297) is hexan-2-ol.
What is the SMILES notation for hexan-2-ol?
The canonical SMILES for hexan-2-ol is CCCCC(C)O.
What is the InChIKey of hexan-2-ol?
The InChIKey is QNVRIHYSUZMSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3.
What are the key properties of hexan-2-ol?
hexan-2-ol has a molecular weight of 102.18 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-2-ol is sourced from PubChem (CID 12297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).