6-hydroxy-6-prop-2-enylnon-8-en-2-one

C12H20O2 — CID 135023446

IUPAC6-hydroxy-6-prop-2-enylnon-8-en-2-one
SMILESC=CCC(O)(CC=C)CCCC(C)=O
InChIInChI=1S/C12H20O2/c1-4-8-12(14,9-5-2)10-6-7-11(3)13/h4-5,14H,1-2,6-10H2,3H3
InChIKeyLLJWZWLWNLVMDD-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.63
Rot. Bonds8

About 6-hydroxy-6-prop-2-enylnon-8-en-2-one

6-hydroxy-6-prop-2-enylnon-8-en-2-one (PubChem CID 135023446) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 6-hydroxy-6-prop-2-enylnon-8-en-2-one.

Molecular Properties

Compound Name6-hydroxy-6-prop-2-enylnon-8-en-2-one
PubChem CID135023446
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name6-hydroxy-6-prop-2-enylnon-8-en-2-one
SMILESC=CCC(O)(CC=C)CCCC(C)=O
InChIInChI=1S/C12H20O2/c1-4-8-12(14,9-5-2)10-6-7-11(3)13/h4-5,14H,1-2,6-10H2,3H3
InChIKeyLLJWZWLWNLVMDD-UHFFFAOYSA-N
XLogP2.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(2R)-2-[(3S)-hex-1-en-3-yl]-2-hydroxycyclohexan-1-one
CID 102505764
(2R)-2-hydroxy-2-[(3S)-4-methylpent-1-en-3-yl]cyclohexan-1-one
CID 102505765
3-Allyl-3-hydroxy-cyclohexanone
CID 10654447
1-Cyclohex-3-en-1-yl-5-hydroxy-5-methylhexan-1-one
CID 57172858
4-(4-Hydroxyhepta-1,6-dien-4-yl)cyclohexan-1-one
CID 58562510
4-But-3-enyl-4-hydroxycyclohexan-1-one;ethene
CID 70063850
6-Hydroxy-6,10-dimethylundec-9-EN-2-one
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10-Hydroxy-10-methylheptadeca-1,16-dien-8-one
CID 86056751
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CID 88832433

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-6-prop-2-enylnon-8-en-2-one?
The IUPAC name of 6-hydroxy-6-prop-2-enylnon-8-en-2-one (CID 135023446) is 6-hydroxy-6-prop-2-enylnon-8-en-2-one.
What is the SMILES notation for 6-hydroxy-6-prop-2-enylnon-8-en-2-one?
The canonical SMILES for 6-hydroxy-6-prop-2-enylnon-8-en-2-one is C=CCC(O)(CC=C)CCCC(C)=O.
What is the InChIKey of 6-hydroxy-6-prop-2-enylnon-8-en-2-one?
The InChIKey is LLJWZWLWNLVMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-4-8-12(14,9-5-2)10-6-7-11(3)13/h4-5,14H,1-2,6-10H2,3H3.
What are the key properties of 6-hydroxy-6-prop-2-enylnon-8-en-2-one?
6-hydroxy-6-prop-2-enylnon-8-en-2-one has a molecular weight of 196.29 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-6-prop-2-enylnon-8-en-2-one is sourced from PubChem (CID 135023446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).