6-hydroxyheptan-2-one

C7H14O2 — CID 23369213

IUPAC6-hydroxyheptan-2-one
SMILESCC(=O)CCCC(C)O
InChIInChI=1S/C7H14O2/c1-6(8)4-3-5-7(2)9/h6,8H,3-5H2,1-2H3
InChIKeyPEJCZILHONLFGW-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.13
Rot. Bonds4

About 6-hydroxyheptan-2-one

6-hydroxyheptan-2-one (PubChem CID 23369213) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 6-hydroxyheptan-2-one.

Molecular Properties

Compound Name6-hydroxyheptan-2-one
PubChem CID23369213
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name6-hydroxyheptan-2-one
SMILESCC(=O)CCCC(C)O
InChIInChI=1S/C7H14O2/c1-6(8)4-3-5-7(2)9/h6,8H,3-5H2,1-2H3
InChIKeyPEJCZILHONLFGW-UHFFFAOYSA-N
XLogP1.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxyheptan-2-one?
The IUPAC name of 6-hydroxyheptan-2-one (CID 23369213) is 6-hydroxyheptan-2-one.
What is the SMILES notation for 6-hydroxyheptan-2-one?
The canonical SMILES for 6-hydroxyheptan-2-one is CC(=O)CCCC(C)O.
What is the InChIKey of 6-hydroxyheptan-2-one?
The InChIKey is PEJCZILHONLFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-6(8)4-3-5-7(2)9/h6,8H,3-5H2,1-2H3.
What are the key properties of 6-hydroxyheptan-2-one?
6-hydroxyheptan-2-one has a molecular weight of 130.19 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxyheptan-2-one is sourced from PubChem (CID 23369213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).