6-methyl-2-methylidenenonanoic acid

C11H20O2 — CID 54193613

IUPAC6-methyl-2-methylidenenonanoic acid
SMILESC=C(CCCC(C)CCC)C(=O)O
InChIInChI=1S/C11H20O2/c1-4-6-9(2)7-5-8-10(3)11(12)13/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyPKFFMTSIRMUWRB-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.23
Rot. Bonds7

About 6-methyl-2-methylidenenonanoic acid

6-methyl-2-methylidenenonanoic acid (PubChem CID 54193613) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 6-methyl-2-methylidenenonanoic acid.

Molecular Properties

Compound Name6-methyl-2-methylidenenonanoic acid
PubChem CID54193613
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name6-methyl-2-methylidenenonanoic acid
SMILESC=C(CCCC(C)CCC)C(=O)O
InChIInChI=1S/C11H20O2/c1-4-6-9(2)7-5-8-10(3)11(12)13/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyPKFFMTSIRMUWRB-UHFFFAOYSA-N
XLogP3.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-2-methylideneoctanoic acid
CID 54361308
8-hydroxy-6-methyl-2-methylideneoctanoic acid
CID 87276335
2-methylidenehexanoic acid;zinc
CID 174824467
ethane;2-methylidenehexanoic acid
CID 162072915
4,8-dimethylundecanoic acid
CID 25230729
4-methyl-8-methylidenedodecane
CID 123605795
(6S)-6,10-dimethyltridecan-2-one
CID 87377837
2-methylidenedecanoic acid;2-methylideneundecanoic acid
CID 87527808
(7R)-7-hydroxy-2-methylideneoctanoic acid
CID 158070673
2-hydroxy-7-methyldecan-3-one
CID 91404937
3-methylhexan-2-yl 2-methylidenebutanoate;5-methyl-2-methylideneoctanoic acid
CID 175512172
4-methyl-2-methylideneheptadecanoic acid
CID 123985234

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-methylidenenonanoic acid?
The IUPAC name of 6-methyl-2-methylidenenonanoic acid (CID 54193613) is 6-methyl-2-methylidenenonanoic acid.
What is the SMILES notation for 6-methyl-2-methylidenenonanoic acid?
The canonical SMILES for 6-methyl-2-methylidenenonanoic acid is C=C(CCCC(C)CCC)C(=O)O.
What is the InChIKey of 6-methyl-2-methylidenenonanoic acid?
The InChIKey is PKFFMTSIRMUWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-6-9(2)7-5-8-10(3)11(12)13/h9H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 6-methyl-2-methylidenenonanoic acid?
6-methyl-2-methylidenenonanoic acid has a molecular weight of 184.28 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-methylidenenonanoic acid is sourced from PubChem (CID 54193613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).