6-methyl-2-methylideneoctanoic acid

C10H18O2 — CID 54361308

IUPAC6-methyl-2-methylideneoctanoic acid
SMILESC=C(CCCC(C)CC)C(=O)O
InChIInChI=1S/C10H18O2/c1-4-8(2)6-5-7-9(3)10(11)12/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyUMRYDZOWVVHXCG-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.84
Rot. Bonds6

About 6-methyl-2-methylideneoctanoic acid

6-methyl-2-methylideneoctanoic acid (PubChem CID 54361308) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 6-methyl-2-methylideneoctanoic acid.

Molecular Properties

Compound Name6-methyl-2-methylideneoctanoic acid
PubChem CID54361308
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name6-methyl-2-methylideneoctanoic acid
SMILESC=C(CCCC(C)CC)C(=O)O
InChIInChI=1S/C10H18O2/c1-4-8(2)6-5-7-9(3)10(11)12/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyUMRYDZOWVVHXCG-UHFFFAOYSA-N
XLogP2.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.84
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-methylidenenonanoic acid
CID 54193613
8-hydroxy-6-methyl-2-methylideneoctanoic acid
CID 87276335
(7R)-7-hydroxy-2-methylideneoctanoic acid
CID 158070673
2-methylidenehexanoic acid;zinc
CID 174824467
8-hydroxy-2-methylidenenonanoic acid
CID 54254175
ethyl 10-methyl-2-methylidenedodecanoate
CID 139878414
ethane;2-methylidenehexanoic acid
CID 162072915
6,10-dimethyldodecan-2-one
CID 14707953
(18R)-18-methylicosanoic acid
CID 71587706
3,8-dimethyl-4-methylidenedecane
CID 177054037
6-hydroxy-5-methyl-2-methylideneoctanoic acid
CID 57135378
8-ethyl-2-methylidenehenicosanoic acid
CID 23001942

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-methylideneoctanoic acid?
The IUPAC name of 6-methyl-2-methylideneoctanoic acid (CID 54361308) is 6-methyl-2-methylideneoctanoic acid.
What is the SMILES notation for 6-methyl-2-methylideneoctanoic acid?
The canonical SMILES for 6-methyl-2-methylideneoctanoic acid is C=C(CCCC(C)CC)C(=O)O.
What is the InChIKey of 6-methyl-2-methylideneoctanoic acid?
The InChIKey is UMRYDZOWVVHXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-8(2)6-5-7-9(3)10(11)12/h8H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 6-methyl-2-methylideneoctanoic acid?
6-methyl-2-methylideneoctanoic acid has a molecular weight of 170.25 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-methylideneoctanoic acid is sourced from PubChem (CID 54361308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).