3-ethyl-4-hydroxydec-9-en-5-one

C12H22O2 — CID 103458359

IUPAC3-ethyl-4-hydroxydec-9-en-5-one
SMILESC=CCCCC(=O)C(O)C(CC)CC
InChIInChI=1S/C12H22O2/c1-4-7-8-9-11(13)12(14)10(5-2)6-3/h4,10,12,14H,1,5-9H2,2-3H3
InChIKeyUASFLHNTCGCASP-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.71
Rot. Bonds8

About 3-ethyl-4-hydroxydec-9-en-5-one

3-ethyl-4-hydroxydec-9-en-5-one (PubChem CID 103458359) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-ethyl-4-hydroxydec-9-en-5-one.

Molecular Properties

Compound Name3-ethyl-4-hydroxydec-9-en-5-one
PubChem CID103458359
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name3-ethyl-4-hydroxydec-9-en-5-one
SMILESC=CCCCC(=O)C(O)C(CC)CC
InChIInChI=1S/C12H22O2/c1-4-7-8-9-11(13)12(14)10(5-2)6-3/h4,10,12,14H,1,5-9H2,2-3H3
InChIKeyUASFLHNTCGCASP-UHFFFAOYSA-N
XLogP2.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,1-dimethoxyhept-6-en-2-one
CID 79492734
3-amino-2-methylnon-8-en-4-one
CID 116549029
4-ethyl-1,3-dihydroxyhexan-2-one
CID 174421327
ethyl 2-chloro-3-oxonon-8-enoate
CID 14175058
non-8-en-4-one
CID 11137251
4-ethoxydodec-11-en-5-one
CID 107008392
6,8-dimethylidenetrideca-1,12-dien-7-one
CID 121004746
1-methoxy-1-phenylhept-6-en-2-one
CID 116751531
10-aminoundec-1-en-6-one
CID 116610182
pentacos-1-en-11-one
CID 21420755
N-tert-butylhex-5-enamide
CID 15640339
12-aminododec-1-en-6-one
CID 116551538

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-hydroxydec-9-en-5-one?
The IUPAC name of 3-ethyl-4-hydroxydec-9-en-5-one (CID 103458359) is 3-ethyl-4-hydroxydec-9-en-5-one.
What is the SMILES notation for 3-ethyl-4-hydroxydec-9-en-5-one?
The canonical SMILES for 3-ethyl-4-hydroxydec-9-en-5-one is C=CCCCC(=O)C(O)C(CC)CC.
What is the InChIKey of 3-ethyl-4-hydroxydec-9-en-5-one?
The InChIKey is UASFLHNTCGCASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-4-7-8-9-11(13)12(14)10(5-2)6-3/h4,10,12,14H,1,5-9H2,2-3H3.
What are the key properties of 3-ethyl-4-hydroxydec-9-en-5-one?
3-ethyl-4-hydroxydec-9-en-5-one has a molecular weight of 198.31 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-hydroxydec-9-en-5-one is sourced from PubChem (CID 103458359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).