2,8-dimethyl-4-methylidenenonan-5-one

C12H22O — CID 121008739

IUPAC2,8-dimethyl-4-methylidenenonan-5-one
SMILESC=C(CC(C)C)C(=O)CCC(C)C
InChIInChI=1S/C12H22O/c1-9(2)6-7-12(13)11(5)8-10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyVWPDXCRKOQODKK-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.59
Rot. Bonds6

About 2,8-dimethyl-4-methylidenenonan-5-one

2,8-dimethyl-4-methylidenenonan-5-one (PubChem CID 121008739) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2,8-dimethyl-4-methylidenenonan-5-one.

Molecular Properties

Compound Name2,8-dimethyl-4-methylidenenonan-5-one
PubChem CID121008739
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2,8-dimethyl-4-methylidenenonan-5-one
SMILESC=C(CC(C)C)C(=O)CCC(C)C
InChIInChI=1S/C12H22O/c1-9(2)6-7-12(13)11(5)8-10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyVWPDXCRKOQODKK-UHFFFAOYSA-N
XLogP3.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-methyl-6-methylidenedecan-5-one
CID 139998322
copper(1+);4-methylpentanoate
CID 159345928
2,6-dimethyl-4-methylideneheptan-3-one
CID 168819259
sodium;ethene;4-methyl-2-methylidenepentanoate;2-methylprop-2-enoic acid
CID 23674257
2,8-dimethyl-5-methylidenenonane
CID 545812
2-methyl-5-methylidenenonan-4-one
CID 71483400
2,9-dimethyldecane-4,6-dione
CID 152780076
2,6-dimethylheptan-4-one;5-methylhexan-2-one
CID 88697321
propan-2-yl 5-methyl-2-oxohexanoate
CID 18370667
2,8-dimethylnon-1-en-5-one
CID 114473507
1-hydroxyethyl 4-methyl-2-methylidenepentanoate
CID 175422491
5-methylhex-1-en-2-ylphosphane
CID 143105119

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-4-methylidenenonan-5-one?
The IUPAC name of 2,8-dimethyl-4-methylidenenonan-5-one (CID 121008739) is 2,8-dimethyl-4-methylidenenonan-5-one.
What is the SMILES notation for 2,8-dimethyl-4-methylidenenonan-5-one?
The canonical SMILES for 2,8-dimethyl-4-methylidenenonan-5-one is C=C(CC(C)C)C(=O)CCC(C)C.
What is the InChIKey of 2,8-dimethyl-4-methylidenenonan-5-one?
The InChIKey is VWPDXCRKOQODKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-9(2)6-7-12(13)11(5)8-10(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 2,8-dimethyl-4-methylidenenonan-5-one?
2,8-dimethyl-4-methylidenenonan-5-one has a molecular weight of 182.31 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-4-methylidenenonan-5-one is sourced from PubChem (CID 121008739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).