2-methyl-5-methylidenenonan-4-one

C11H20O — CID 71483400

IUPAC2-methyl-5-methylidenenonan-4-one
SMILESC=C(CCCC)C(=O)CC(C)C
InChIInChI=1S/C11H20O/c1-5-6-7-10(4)11(12)8-9(2)3/h9H,4-8H2,1-3H3
InChIKeyAPJSDHKRPSQMDQ-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.35
Rot. Bonds6

About 2-methyl-5-methylidenenonan-4-one

2-methyl-5-methylidenenonan-4-one (PubChem CID 71483400) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-methyl-5-methylidenenonan-4-one.

Molecular Properties

Compound Name2-methyl-5-methylidenenonan-4-one
PubChem CID71483400
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2-methyl-5-methylidenenonan-4-one
SMILESC=C(CCCC)C(=O)CC(C)C
InChIInChI=1S/C11H20O/c1-5-6-7-10(4)11(12)8-9(2)3/h9H,4-8H2,1-3H3
InChIKeyAPJSDHKRPSQMDQ-UHFFFAOYSA-N
XLogP3.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.35
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
zinc bis(2-methylidenehexanoate)
CID 122669315
lead(2+);bis(2-methylidenehexanoate)
CID 88789371
11-methylidenetricosan-12-one
CID 146586592
2-methylidenehexanoic acid;zinc
CID 174824467
3-methylbutanoic acid;pentanoic acid
CID 87150377
2-methyl-3,4-dimethylideneoctane
CID 134835282
ethane;2-methylidenehexanoic acid
CID 162072915
3-methylideneoctan-4-one
CID 11815902
2-methylidenehexanoylazanide;terbium
CID 175783049
3,4-dimethylideneoctan-2-one
CID 143941758
butan-2-one;hexan-2-one;4-methylpentan-2-one;propan-2-one
CID 161207963

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylidenenonan-4-one?
The IUPAC name of 2-methyl-5-methylidenenonan-4-one (CID 71483400) is 2-methyl-5-methylidenenonan-4-one.
What is the SMILES notation for 2-methyl-5-methylidenenonan-4-one?
The canonical SMILES for 2-methyl-5-methylidenenonan-4-one is C=C(CCCC)C(=O)CC(C)C.
What is the InChIKey of 2-methyl-5-methylidenenonan-4-one?
The InChIKey is APJSDHKRPSQMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-5-6-7-10(4)11(12)8-9(2)3/h9H,4-8H2,1-3H3.
What are the key properties of 2-methyl-5-methylidenenonan-4-one?
2-methyl-5-methylidenenonan-4-one has a molecular weight of 168.28 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylidenenonan-4-one is sourced from PubChem (CID 71483400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).