3-hydroxy-3-methyl-7-methylidenenona-1,8-dien-1-one

C11H16O2 — CID 140611138

IUPAC3-hydroxy-3-methyl-7-methylidenenona-1,8-dien-1-one
SMILESC=CC(=C)CCCC(C)(O)C=C=O
InChIInChI=1S/C11H16O2/c1-4-10(2)6-5-7-11(3,13)8-9-12/h4,8,13H,1-2,5-7H2,3H3
InChIKeyYUJGHPCUVXPDSW-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.04
Rot. Bonds6

About 3-hydroxy-3-methyl-7-methylidenenona-1,8-dien-1-one

3-hydroxy-3-methyl-7-methylidenenona-1,8-dien-1-one (PubChem CID 140611138) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-hydroxy-3-methyl-7-methylidenenona-1,8-dien-1-one.

Molecular Properties

Compound Name3-hydroxy-3-methyl-7-methylidenenona-1,8-dien-1-one
PubChem CID140611138
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name3-hydroxy-3-methyl-7-methylidenenona-1,8-dien-1-one
SMILESC=CC(=C)CCCC(C)(O)C=C=O
InChIInChI=1S/C11H16O2/c1-4-10(2)6-5-7-11(3,13)8-9-12/h4,8,13H,1-2,5-7H2,3H3
InChIKeyYUJGHPCUVXPDSW-UHFFFAOYSA-N
XLogP2.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6,6-dimethyl-3-methylidenehept-1-ene
CID 153290519
2-methyl-5-methylidenehept-6-en-2-amine
CID 126489894
11,11,15-trimethyl-3-methylidenehexadec-1-ene
CID 176767312
3-methylidenetridec-1-ene
CID 3776253
(2,2-dimethyl-5-methylidenehept-6-enyl)-trimethyl-λ4-sulfane
CID 126670461
N-hydroxy-5-methylidenehept-6-enamide
CID 11252135
10-methyl-3-methylideneundec-1-ene
CID 144855567
7-methyl-3-methylideneocta-1,6-diene
CID 173118544
7-methyl-3,6-dimethylideneoct-1-ene
CID 102247656
(5R)-5-hydroxy-5-methyl-6-oxohexanenitrile
CID 130921838
3,6-dimethylocta-1,7-diene-3,6-diol
CID 57150044
(E)-5,8-dimethyldodec-6-ene-5,8-diol
CID 22223420

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-methyl-7-methylidenenona-1,8-dien-1-one?
The IUPAC name of 3-hydroxy-3-methyl-7-methylidenenona-1,8-dien-1-one (CID 140611138) is 3-hydroxy-3-methyl-7-methylidenenona-1,8-dien-1-one.
What is the SMILES notation for 3-hydroxy-3-methyl-7-methylidenenona-1,8-dien-1-one?
The canonical SMILES for 3-hydroxy-3-methyl-7-methylidenenona-1,8-dien-1-one is C=CC(=C)CCCC(C)(O)C=C=O.
What is the InChIKey of 3-hydroxy-3-methyl-7-methylidenenona-1,8-dien-1-one?
The InChIKey is YUJGHPCUVXPDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-4-10(2)6-5-7-11(3,13)8-9-12/h4,8,13H,1-2,5-7H2,3H3.
What are the key properties of 3-hydroxy-3-methyl-7-methylidenenona-1,8-dien-1-one?
3-hydroxy-3-methyl-7-methylidenenona-1,8-dien-1-one has a molecular weight of 180.25 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methyl-7-methylidenenona-1,8-dien-1-one is sourced from PubChem (CID 140611138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).