10-methylundeca-6,10-dienoic acid

C12H20O2 — CID 163214310

IUPAC10-methylundeca-6,10-dienoic acid
SMILESC=C(C)CCC=CCCCCC(=O)O
InChIInChI=1S/C12H20O2/c1-11(2)9-7-5-3-4-6-8-10-12(13)14/h3,5H,1,4,6-10H2,2H3,(H,13,14)
InChIKeyBZHHIRUALFYSBH-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.54
Rot. Bonds8

About 10-methylundeca-6,10-dienoic acid

10-methylundeca-6,10-dienoic acid (PubChem CID 163214310) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 10-methylundeca-6,10-dienoic acid.

Molecular Properties

Compound Name10-methylundeca-6,10-dienoic acid
PubChem CID163214310
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name10-methylundeca-6,10-dienoic acid
SMILESC=C(C)CCC=CCCCCC(=O)O
InChIInChI=1S/C12H20O2/c1-11(2)9-7-5-3-4-6-8-10-12(13)14/h3,5H,1,4,6-10H2,2H3,(H,13,14)
InChIKeyBZHHIRUALFYSBH-UHFFFAOYSA-N
XLogP3.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
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'}

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Related Compounds

(E)-octadec-4-enedioic acid
CID 166071490
(E)-pentadec-4-enedioic acid
CID 156873655
(9Z,33Z)-dotetraconta-9,33-dienedioic acid
CID 87211353
nonatriaconta-9,30-dienedioic acid
CID 151730999
(9Z,30Z)-nonatriaconta-9,30-dienedioic acid
CID 151731001
tetradec-6-enedioic acid
CID 151545129
18-methylnonadec-18-enoic acid
CID 123841309
(Z)-dodec-5-enedioic acid
CID 86751837
formaldehyde;octadec-9-enoic acid
CID 159210703
(4Z)-hexadeca-4,7,10-trienedioic acid
CID 86752598
(6E,12Z)-octadeca-6,12-dienoic acid
CID 101251526
ethene;octadec-9-enoic acid
CID 173100265

Frequently Asked Questions

What is the IUPAC name of 10-methylundeca-6,10-dienoic acid?
The IUPAC name of 10-methylundeca-6,10-dienoic acid (CID 163214310) is 10-methylundeca-6,10-dienoic acid.
What is the SMILES notation for 10-methylundeca-6,10-dienoic acid?
The canonical SMILES for 10-methylundeca-6,10-dienoic acid is C=C(C)CCC=CCCCCC(=O)O.
What is the InChIKey of 10-methylundeca-6,10-dienoic acid?
The InChIKey is BZHHIRUALFYSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-11(2)9-7-5-3-4-6-8-10-12(13)14/h3,5H,1,4,6-10H2,2H3,(H,13,14).
What are the key properties of 10-methylundeca-6,10-dienoic acid?
10-methylundeca-6,10-dienoic acid has a molecular weight of 196.29 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methylundeca-6,10-dienoic acid is sourced from PubChem (CID 163214310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).