(Z)-5-methylundec-2-enoic acid

C12H22O2 — CID 155211364

IUPAC(Z)-5-methylundec-2-enoic acid
SMILESCCCCCCC(C)C/C=C\C(=O)O
InChIInChI=1S/C12H22O2/c1-3-4-5-6-8-11(2)9-7-10-12(13)14/h7,10-11H,3-6,8-9H2,1-2H3,(H,13,14)/b10-7-
InChIKeyROYFWQWGQUTENN-YFHOEESVSA-N
MW198.31 g/mol
LogP3.62
Rot. Bonds8

About (Z)-5-methylundec-2-enoic acid

(Z)-5-methylundec-2-enoic acid (PubChem CID 155211364) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (Z)-5-methylundec-2-enoic acid.

Molecular Properties

Compound Name(Z)-5-methylundec-2-enoic acid
PubChem CID155211364
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(Z)-5-methylundec-2-enoic acid
SMILESCCCCCCC(C)C/C=C\C(=O)O
InChIInChI=1S/C12H22O2/c1-3-4-5-6-8-11(2)9-7-10-12(13)14/h7,10-11H,3-6,8-9H2,1-2H3,(H,13,14)/b10-7-
InChIKeyROYFWQWGQUTENN-YFHOEESVSA-N
XLogP3.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.62
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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Related Compounds

10-methylheptadec-2-enoic acid
CID 176885853
5-hydroxyundec-2-enoic acid
CID 54094975
(2E,4E)-7-methylundeca-2,4-dienoic acid
CID 19761491
5,8-dihydroxyoctadec-2-enoic acid
CID 162533273
6-methyl-2-(6-methyldodeca-1,3-dien-2-yloxy)dodeca-1,3-diene
CID 141011255
(3E)-2,6,10-trimethylhexadeca-1,3-diene
CID 91752281
(3Z)-2,6,10-trimethylhexadeca-1,3-diene
CID 91752282
(Z)-9-methylheptadec-6-enoic acid
CID 52921788
16-methyl-2-octadecyldocos-13-enoic acid
CID 174214728
13-methyl-2-tetradecyltetracos-15-enoic acid
CID 174214891
5-methyltridec-2-en-1-ol
CID 139697199
(E)-6-methylhexadec-3-ene
CID 173194211

Frequently Asked Questions

What is the IUPAC name of (Z)-5-methylundec-2-enoic acid?
The IUPAC name of (Z)-5-methylundec-2-enoic acid (CID 155211364) is (Z)-5-methylundec-2-enoic acid.
What is the SMILES notation for (Z)-5-methylundec-2-enoic acid?
The canonical SMILES for (Z)-5-methylundec-2-enoic acid is CCCCCCC(C)C/C=C\C(=O)O.
What is the InChIKey of (Z)-5-methylundec-2-enoic acid?
The InChIKey is ROYFWQWGQUTENN-YFHOEESVSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-4-5-6-8-11(2)9-7-10-12(13)14/h7,10-11H,3-6,8-9H2,1-2H3,(H,13,14)/b10-7-.
What are the key properties of (Z)-5-methylundec-2-enoic acid?
(Z)-5-methylundec-2-enoic acid has a molecular weight of 198.31 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-methylundec-2-enoic acid is sourced from PubChem (CID 155211364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).