5-methyl-2-methylidenedec-4-enoic acid

C12H20O2 — CID 135009101

IUPAC5-methyl-2-methylidenedec-4-enoic acid
SMILESC=C(CC=C(C)CCCCC)C(=O)O
InChIInChI=1S/C12H20O2/c1-4-5-6-7-10(2)8-9-11(3)12(13)14/h8H,3-7,9H2,1-2H3,(H,13,14)
InChIKeyVXDNRGLZSCZJEO-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.54
Rot. Bonds7

About 5-methyl-2-methylidenedec-4-enoic acid

5-methyl-2-methylidenedec-4-enoic acid (PubChem CID 135009101) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 5-methyl-2-methylidenedec-4-enoic acid.

Molecular Properties

Compound Name5-methyl-2-methylidenedec-4-enoic acid
PubChem CID135009101
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name5-methyl-2-methylidenedec-4-enoic acid
SMILESC=C(CC=C(C)CCCCC)C(=O)O
InChIInChI=1S/C12H20O2/c1-4-5-6-7-10(2)8-9-11(3)12(13)14/h8H,3-7,9H2,1-2H3,(H,13,14)
InChIKeyVXDNRGLZSCZJEO-UHFFFAOYSA-N
XLogP3.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.54
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-methylidenedec-4-enoic acid?
The IUPAC name of 5-methyl-2-methylidenedec-4-enoic acid (CID 135009101) is 5-methyl-2-methylidenedec-4-enoic acid.
What is the SMILES notation for 5-methyl-2-methylidenedec-4-enoic acid?
The canonical SMILES for 5-methyl-2-methylidenedec-4-enoic acid is C=C(CC=C(C)CCCCC)C(=O)O.
What is the InChIKey of 5-methyl-2-methylidenedec-4-enoic acid?
The InChIKey is VXDNRGLZSCZJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-4-5-6-7-10(2)8-9-11(3)12(13)14/h8H,3-7,9H2,1-2H3,(H,13,14).
What are the key properties of 5-methyl-2-methylidenedec-4-enoic acid?
5-methyl-2-methylidenedec-4-enoic acid has a molecular weight of 196.29 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-methylidenedec-4-enoic acid is sourced from PubChem (CID 135009101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).