2-methylidenedecanoic acid

C11H20O2 — CID 12731440

IUPAC2-methylidenedecanoic acid
SMILESC=C(CCCCCCCC)C(=O)O
InChIInChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-10(2)11(12)13/h2-9H2,1H3,(H,12,13)
InChIKeyMVCQCVRQBYRRMY-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.38
Rot. Bonds8

About 2-methylidenedecanoic acid

2-methylidenedecanoic acid (PubChem CID 12731440) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-methylidenedecanoic acid.

Molecular Properties

Compound Name2-methylidenedecanoic acid
PubChem CID12731440
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-methylidenedecanoic acid
SMILESC=C(CCCCCCCC)C(=O)O
InChIInChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-10(2)11(12)13/h2-9H2,1H3,(H,12,13)
InChIKeyMVCQCVRQBYRRMY-UHFFFAOYSA-N
XLogP3.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylidenedecanoic acid?
The IUPAC name of 2-methylidenedecanoic acid (CID 12731440) is 2-methylidenedecanoic acid.
What is the SMILES notation for 2-methylidenedecanoic acid?
The canonical SMILES for 2-methylidenedecanoic acid is C=C(CCCCCCCC)C(=O)O.
What is the InChIKey of 2-methylidenedecanoic acid?
The InChIKey is MVCQCVRQBYRRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-10(2)11(12)13/h2-9H2,1H3,(H,12,13).
What are the key properties of 2-methylidenedecanoic acid?
2-methylidenedecanoic acid has a molecular weight of 184.28 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenedecanoic acid is sourced from PubChem (CID 12731440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).