2-methylidene-5-(2-methylpropoxy)pentanoic acid

C10H18O3 — CID 20637475

IUPAC2-methylidene-5-(2-methylpropoxy)pentanoic acid
SMILESC=C(CCCOCC(C)C)C(=O)O
InChIInChI=1S/C10H18O3/c1-8(2)7-13-6-4-5-9(3)10(11)12/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyKUJWOBCWHHLJFU-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.08
Rot. Bonds7

About 2-methylidene-5-(2-methylpropoxy)pentanoic acid

2-methylidene-5-(2-methylpropoxy)pentanoic acid (PubChem CID 20637475) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-methylidene-5-(2-methylpropoxy)pentanoic acid.

Molecular Properties

Compound Name2-methylidene-5-(2-methylpropoxy)pentanoic acid
PubChem CID20637475
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-methylidene-5-(2-methylpropoxy)pentanoic acid
SMILESC=C(CCCOCC(C)C)C(=O)O
InChIInChI=1S/C10H18O3/c1-8(2)7-13-6-4-5-9(3)10(11)12/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyKUJWOBCWHHLJFU-UHFFFAOYSA-N
XLogP2.08
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.08
H-Bond Donors ≤ 51
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 2-methylidene-5-(2-methylpropoxy)pentanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-5-(2-methylpropoxy)pentanoic acid?
The IUPAC name of 2-methylidene-5-(2-methylpropoxy)pentanoic acid (CID 20637475) is 2-methylidene-5-(2-methylpropoxy)pentanoic acid.
What is the SMILES notation for 2-methylidene-5-(2-methylpropoxy)pentanoic acid?
The canonical SMILES for 2-methylidene-5-(2-methylpropoxy)pentanoic acid is C=C(CCCOCC(C)C)C(=O)O.
What is the InChIKey of 2-methylidene-5-(2-methylpropoxy)pentanoic acid?
The InChIKey is KUJWOBCWHHLJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-8(2)7-13-6-4-5-9(3)10(11)12/h8H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 2-methylidene-5-(2-methylpropoxy)pentanoic acid?
2-methylidene-5-(2-methylpropoxy)pentanoic acid has a molecular weight of 186.25 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-5-(2-methylpropoxy)pentanoic acid is sourced from PubChem (CID 20637475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).