6-prop-1-en-2-ylnonan-2-one

C12H22O — CID 143490282

IUPAC6-prop-1-en-2-ylnonan-2-one
SMILESC=C(C)C(CCC)CCCC(C)=O
InChIInChI=1S/C12H22O/c1-5-7-12(10(2)3)9-6-8-11(4)13/h12H,2,5-9H2,1,3-4H3
InChIKeyKCHAJDAGSUYRFA-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.74
Rot. Bonds7

About 6-prop-1-en-2-ylnonan-2-one

6-prop-1-en-2-ylnonan-2-one (PubChem CID 143490282) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 6-prop-1-en-2-ylnonan-2-one.

Molecular Properties

Compound Name6-prop-1-en-2-ylnonan-2-one
PubChem CID143490282
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name6-prop-1-en-2-ylnonan-2-one
SMILESC=C(C)C(CCC)CCCC(C)=O
InChIInChI=1S/C12H22O/c1-5-7-12(10(2)3)9-6-8-11(4)13/h12H,2,5-9H2,1,3-4H3
InChIKeyKCHAJDAGSUYRFA-UHFFFAOYSA-N
XLogP3.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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8-methylundecan-2-one
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7-methyldecane-2,6-dione
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butan-1-ol;hexan-2-one
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formaldehyde;octan-2-one
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6-heptyltetradecane-2,5-dione
CID 129213457
2-methylidene-3-propylnonadecanoic acid
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3-butyl-6-hydroxyhept-6-en-2-one
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(4R)-4-propyloctane-2,3-dione
CID 91312315

Frequently Asked Questions

What is the IUPAC name of 6-prop-1-en-2-ylnonan-2-one?
The IUPAC name of 6-prop-1-en-2-ylnonan-2-one (CID 143490282) is 6-prop-1-en-2-ylnonan-2-one.
What is the SMILES notation for 6-prop-1-en-2-ylnonan-2-one?
The canonical SMILES for 6-prop-1-en-2-ylnonan-2-one is C=C(C)C(CCC)CCCC(C)=O.
What is the InChIKey of 6-prop-1-en-2-ylnonan-2-one?
The InChIKey is KCHAJDAGSUYRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-5-7-12(10(2)3)9-6-8-11(4)13/h12H,2,5-9H2,1,3-4H3.
What are the key properties of 6-prop-1-en-2-ylnonan-2-one?
6-prop-1-en-2-ylnonan-2-one has a molecular weight of 182.31 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-1-en-2-ylnonan-2-one is sourced from PubChem (CID 143490282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).