2-methyl-6-methylideneocta-2,7-dien-4-one

C10H14O — CID 6430826

IUPAC2-methyl-6-methylideneocta-2,7-dien-4-one
SMILESC=CC(=C)CC(=O)C=C(C)C
InChIInChI=1S/C10H14O/c1-5-9(4)7-10(11)6-8(2)3/h5-6H,1,4,7H2,2-3H3
InChIKeyRPDIIOSMVGHNKJ-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.65
Rot. Bonds4

About 2-methyl-6-methylideneocta-2,7-dien-4-one

2-methyl-6-methylideneocta-2,7-dien-4-one (PubChem CID 6430826) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-methyl-6-methylideneocta-2,7-dien-4-one.

Molecular Properties

Compound Name2-methyl-6-methylideneocta-2,7-dien-4-one
PubChem CID6430826
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name2-methyl-6-methylideneocta-2,7-dien-4-one
SMILESC=CC(=C)CC(=O)C=C(C)C
InChIInChI=1S/C10H14O/c1-5-9(4)7-10(11)6-8(2)3/h5-6H,1,4,7H2,2-3H3
InChIKeyRPDIIOSMVGHNKJ-UHFFFAOYSA-N
XLogP2.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

5-methyl-3-oxohex-4-enoic acid
CID 55300191
(7Z)-2,9,9-trimethyl-6-methylidene-8-(methyliminomethyl)deca-2,7-dien-4-one
CID 146318276
2,6,10-trimethylundeca-2,6,9-trien-4-one
CID 57093023
2-methylbuta-1,3-diene;pentane-2,4-dione
CID 18795140
6-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)hepta-1,5-dien-4-one
CID 91751074
3-methylidene-5-propan-2-ylideneoct-1-ene
CID 18368536
(6Z)-3,5-dimethylideneocta-1,6-diene
CID 142353486
N,4-dimethyl-2-methylidenepent-3-en-1-amine
CID 146927478
6-methyl-4-oxohept-5-enoic acid
CID 54106294
(6E,10E,14S)-14-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraen-4-one
CID 163027409
7-methyl-3-methylideneocta-1,6-diene
CID 173118544
2-methyloct-2-en-4-one
CID 29838

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-methylideneocta-2,7-dien-4-one?
The IUPAC name of 2-methyl-6-methylideneocta-2,7-dien-4-one (CID 6430826) is 2-methyl-6-methylideneocta-2,7-dien-4-one.
What is the SMILES notation for 2-methyl-6-methylideneocta-2,7-dien-4-one?
The canonical SMILES for 2-methyl-6-methylideneocta-2,7-dien-4-one is C=CC(=C)CC(=O)C=C(C)C.
What is the InChIKey of 2-methyl-6-methylideneocta-2,7-dien-4-one?
The InChIKey is RPDIIOSMVGHNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-5-9(4)7-10(11)6-8(2)3/h5-6H,1,4,7H2,2-3H3.
What are the key properties of 2-methyl-6-methylideneocta-2,7-dien-4-one?
2-methyl-6-methylideneocta-2,7-dien-4-one has a molecular weight of 150.22 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-methylideneocta-2,7-dien-4-one is sourced from PubChem (CID 6430826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).