10-methylideneoctadecanoic acid

C19H36O2 — CID 5312340

IUPAC10-methylideneoctadecanoic acid
SMILESC=C(CCCCCCCC)CCCCCCCCC(=O)O
InChIInChI=1S/C19H36O2/c1-3-4-5-6-9-12-15-18(2)16-13-10-7-8-11-14-17-19(20)21/h2-17H2,1H3,(H,20,21)
InChIKeyWLVDYCRJAOTRPO-UHFFFAOYSA-N
MW296.49 g/mol
LogP6.50
Rot. Bonds16

About 10-methylideneoctadecanoic acid

10-methylideneoctadecanoic acid (PubChem CID 5312340) has the molecular formula C19H36O2 and a molecular weight of 296.49 g/mol. Its IUPAC name is 10-methylideneoctadecanoic acid.

Molecular Properties

Compound Name10-methylideneoctadecanoic acid
PubChem CID5312340
Molecular FormulaC19H36O2
Molecular Weight296.49 g/mol
Exact Mass296.27
IUPAC Name10-methylideneoctadecanoic acid
SMILESC=C(CCCCCCCC)CCCCCCCCC(=O)O
InChIInChI=1S/C19H36O2/c1-3-4-5-6-9-12-15-18(2)16-13-10-7-8-11-14-17-19(20)21/h2-17H2,1H3,(H,20,21)
InChIKeyWLVDYCRJAOTRPO-UHFFFAOYSA-N
XLogP6.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.49
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-methylideneoctadecanoic acid?
The IUPAC name of 10-methylideneoctadecanoic acid (CID 5312340) is 10-methylideneoctadecanoic acid.
What is the SMILES notation for 10-methylideneoctadecanoic acid?
The canonical SMILES for 10-methylideneoctadecanoic acid is C=C(CCCCCCCC)CCCCCCCCC(=O)O.
What is the InChIKey of 10-methylideneoctadecanoic acid?
The InChIKey is WLVDYCRJAOTRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2/c1-3-4-5-6-9-12-15-18(2)16-13-10-7-8-11-14-17-19(20)21/h2-17H2,1H3,(H,20,21).
What are the key properties of 10-methylideneoctadecanoic acid?
10-methylideneoctadecanoic acid has a molecular weight of 296.49 g/mol, XLogP of 6.50, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methylideneoctadecanoic acid is sourced from PubChem (CID 5312340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).