9-methyl-6-methylidenedecan-5-one

C12H22O — CID 139998322

IUPAC9-methyl-6-methylidenedecan-5-one
SMILESC=C(CCC(C)C)C(=O)CCCC
InChIInChI=1S/C12H22O/c1-5-6-7-12(13)11(4)9-8-10(2)3/h10H,4-9H2,1-3H3
InChIKeyTWURAYYVOQPHRU-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.74
Rot. Bonds7

About 9-methyl-6-methylidenedecan-5-one

9-methyl-6-methylidenedecan-5-one (PubChem CID 139998322) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 9-methyl-6-methylidenedecan-5-one.

Molecular Properties

Compound Name9-methyl-6-methylidenedecan-5-one
PubChem CID139998322
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name9-methyl-6-methylidenedecan-5-one
SMILESC=C(CCC(C)C)C(=O)CCCC
InChIInChI=1S/C12H22O/c1-5-6-7-12(13)11(4)9-8-10(2)3/h10H,4-9H2,1-3H3
InChIKeyTWURAYYVOQPHRU-UHFFFAOYSA-N
XLogP3.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.74
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

2-methyl-5-methylidenenonan-4-one
CID 71483400
3-methylideneoctan-4-one
CID 11815902
11-methylidenetricosan-12-one
CID 146586592
pentyl 5-methyl-2-methylidenehexanoate
CID 175083218
2,8-dimethyl-4-methylidenenonan-5-one
CID 121008739
2-methyl-5-methylideneundecane
CID 54320712
6-amino-2-methyldecan-5-one
CID 116556613
8-methylideneheptadecane-7,11-dione
CID 12950270
2,8-dimethyl-5-methylidenenonane
CID 545812
2-methyl-3,4-dimethylideneoctane
CID 134835282
2-methyltetradecan-5-one
CID 19931308
lead(2+);bis(2-methylidenehexanoate)
CID 88789371

Frequently Asked Questions

What is the IUPAC name of 9-methyl-6-methylidenedecan-5-one?
The IUPAC name of 9-methyl-6-methylidenedecan-5-one (CID 139998322) is 9-methyl-6-methylidenedecan-5-one.
What is the SMILES notation for 9-methyl-6-methylidenedecan-5-one?
The canonical SMILES for 9-methyl-6-methylidenedecan-5-one is C=C(CCC(C)C)C(=O)CCCC.
What is the InChIKey of 9-methyl-6-methylidenedecan-5-one?
The InChIKey is TWURAYYVOQPHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-5-6-7-12(13)11(4)9-8-10(2)3/h10H,4-9H2,1-3H3.
What are the key properties of 9-methyl-6-methylidenedecan-5-one?
9-methyl-6-methylidenedecan-5-one has a molecular weight of 182.31 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-6-methylidenedecan-5-one is sourced from PubChem (CID 139998322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).