(6S)-6-hydroxyheptan-3-one

C7H14O2 — CID 163026982

IUPAC(6S)-6-hydroxyheptan-3-one
SMILESCCC(=O)CC[C@H](C)O
InChIInChI=1S/C7H14O2/c1-3-7(9)5-4-6(2)8/h6,8H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyDWMNUVZLRBCGOL-LURJTMIESA-N
MW130.19 g/mol
LogP1.13
Rot. Bonds4

About (6S)-6-hydroxyheptan-3-one

(6S)-6-hydroxyheptan-3-one (PubChem CID 163026982) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is (6S)-6-hydroxyheptan-3-one.

Molecular Properties

Compound Name(6S)-6-hydroxyheptan-3-one
PubChem CID163026982
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name(6S)-6-hydroxyheptan-3-one
SMILESCCC(=O)CC[C@H](C)O
InChIInChI=1S/C7H14O2/c1-3-7(9)5-4-6(2)8/h6,8H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyDWMNUVZLRBCGOL-LURJTMIESA-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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Related Compounds

2,8-dihydroxynonan-5-one
CID 174799972
6-hydroxyoctan-3-one
CID 15920952
(6R)-6-methylnonan-3-one
CID 11805013
6,6-dichlorohexan-3-one
CID 15669105
(7R,8S)-8-hydroxy-7-methylnonan-3-one
CID 122413902
(5S)-5-hydroxyhexan-2-one
CID 11491928
2,10-dihydroxyundecan-6-one
CID 56979503
(Z)-6,7-dimethylnon-7-en-3-one
CID 155583051
ethane;7-methyloctan-3-one
CID 142816942
9-ethylundecane-3,6-dione
CID 174193885
hexacosane-3,6,9,12,15,18,21,24-octone
CID 175857763
6-hydroxytritriacontan-3-one
CID 163195749

Frequently Asked Questions

What is the IUPAC name of (6S)-6-hydroxyheptan-3-one?
The IUPAC name of (6S)-6-hydroxyheptan-3-one (CID 163026982) is (6S)-6-hydroxyheptan-3-one.
What is the SMILES notation for (6S)-6-hydroxyheptan-3-one?
The canonical SMILES for (6S)-6-hydroxyheptan-3-one is CCC(=O)CC[C@H](C)O.
What is the InChIKey of (6S)-6-hydroxyheptan-3-one?
The InChIKey is DWMNUVZLRBCGOL-LURJTMIESA-N. The full InChI is InChI=1S/C7H14O2/c1-3-7(9)5-4-6(2)8/h6,8H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of (6S)-6-hydroxyheptan-3-one?
(6S)-6-hydroxyheptan-3-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 (6S)-6-hydroxyheptan-3-one is sourced from PubChem (CID 163026982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).