methyl 8-methyl-2-methylidenenonanoate

C12H22O2 — CID 141066722

IUPACmethyl 8-methyl-2-methylidenenonanoate
SMILESC=C(CCCCCC(C)C)C(=O)OC
InChIInChI=1S/C12H22O2/c1-10(2)8-6-5-7-9-11(3)12(13)14-4/h10H,3,5-9H2,1-2,4H3
InChIKeyFUNPXSWDLHTLQT-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.32
Rot. Bonds7

About methyl 8-methyl-2-methylidenenonanoate

methyl 8-methyl-2-methylidenenonanoate (PubChem CID 141066722) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is methyl 8-methyl-2-methylidenenonanoate.

Molecular Properties

Compound Namemethyl 8-methyl-2-methylidenenonanoate
PubChem CID141066722
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Namemethyl 8-methyl-2-methylidenenonanoate
SMILESC=C(CCCCCC(C)C)C(=O)OC
InChIInChI=1S/C12H22O2/c1-10(2)8-6-5-7-9-11(3)12(13)14-4/h10H,3,5-9H2,1-2,4H3
InChIKeyFUNPXSWDLHTLQT-UHFFFAOYSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl 8-methyl-2-methylidenenonanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (9S,10S)-9,10-dibromo-2-methylideneoctadecanoate
CID 129383075
methyl (9R,10S)-9,10-dibromo-2-methylideneoctadecanoate
CID 129383073
methyl 7-methoxy-2-methylideneheptanoate
CID 20669689
methyl 21-methyldocosanoate
CID 14178788
methyl 5-hydroxy-2-methylidenehexanoate
CID 57168869
methyl (E)-3-hydroxy-15-methyl-2-nitrosohexadec-2-enoate
CID 135499816
3-methylbutyl 2-methylideneoctanoate
CID 174563366
6-methylheptyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 175749007
methoxymethane;16-methylheptadecanoic acid
CID 175921970
hexane-1,1-diol;2-methylprop-2-enoyl 11-methyl-2-methylidenedodecanoate
CID 118162576
N-methoxy-7-methyloctanamide
CID 174552254
oxaldehydoyl 19-methyl-2-methylidene-4-oxoicosanoate
CID 57097971

Frequently Asked Questions

What is the IUPAC name of methyl 8-methyl-2-methylidenenonanoate?
The IUPAC name of methyl 8-methyl-2-methylidenenonanoate (CID 141066722) is methyl 8-methyl-2-methylidenenonanoate.
What is the SMILES notation for methyl 8-methyl-2-methylidenenonanoate?
The canonical SMILES for methyl 8-methyl-2-methylidenenonanoate is C=C(CCCCCC(C)C)C(=O)OC.
What is the InChIKey of methyl 8-methyl-2-methylidenenonanoate?
The InChIKey is FUNPXSWDLHTLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-10(2)8-6-5-7-9-11(3)12(13)14-4/h10H,3,5-9H2,1-2,4H3.
What are the key properties of methyl 8-methyl-2-methylidenenonanoate?
methyl 8-methyl-2-methylidenenonanoate has a molecular weight of 198.31 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-methyl-2-methylidenenonanoate is sourced from PubChem (CID 141066722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).