1-hydroxynon-7-yn-4-one

C9H14O2 — CID 106677619

IUPAC1-hydroxynon-7-yn-4-one
SMILESCC#CCCC(=O)CCCO
InChIInChI=1S/C9H14O2/c1-2-3-4-6-9(11)7-5-8-10/h10H,4-8H2,1H3
InChIKeySLBNCLSQNBKMFR-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.13
Rot. Bonds5

About 1-hydroxynon-7-yn-4-one

1-hydroxynon-7-yn-4-one (PubChem CID 106677619) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-hydroxynon-7-yn-4-one.

Molecular Properties

Compound Name1-hydroxynon-7-yn-4-one
PubChem CID106677619
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name1-hydroxynon-7-yn-4-one
SMILESCC#CCCC(=O)CCCO
InChIInChI=1S/C9H14O2/c1-2-3-4-6-9(11)7-5-8-10/h10H,4-8H2,1H3
InChIKeySLBNCLSQNBKMFR-UHFFFAOYSA-N
XLogP1.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

undec-9-yn-4-one
CID 104811869
non-7-yn-3-one
CID 23240695
2-aminodec-8-yn-5-one
CID 116571844
1-(propan-2-ylamino)oct-6-yn-3-one
CID 116556591
1-cyclopropylhept-5-yn-2-one
CID 104803463
octadeca-4,16-diynoic acid
CID 169448081
sodium hex-4-ynoate
CID 141345346
1-hydroxynonadecan-4-one
CID 91351841
1,11-dihydroxyundecan-6-one
CID 14015246
1-(1,3-dioxolan-2-yl)hept-5-yn-2-one
CID 103543826
1-propoxyhept-5-yn-2-one
CID 104803128
1-(prop-2-ynylamino)hept-5-yn-2-one
CID 116589646

Frequently Asked Questions

What is the IUPAC name of 1-hydroxynon-7-yn-4-one?
The IUPAC name of 1-hydroxynon-7-yn-4-one (CID 106677619) is 1-hydroxynon-7-yn-4-one.
What is the SMILES notation for 1-hydroxynon-7-yn-4-one?
The canonical SMILES for 1-hydroxynon-7-yn-4-one is CC#CCCC(=O)CCCO.
What is the InChIKey of 1-hydroxynon-7-yn-4-one?
The InChIKey is SLBNCLSQNBKMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-3-4-6-9(11)7-5-8-10/h10H,4-8H2,1H3.
What are the key properties of 1-hydroxynon-7-yn-4-one?
1-hydroxynon-7-yn-4-one has a molecular weight of 154.21 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxynon-7-yn-4-one is sourced from PubChem (CID 106677619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).