3-methyldec-4-enoic acid

C11H20O2 — CID 579940

IUPAC3-methyldec-4-enoic acid
SMILESCCCCCC=CC(C)CC(=O)O
InChIInChI=1S/C11H20O2/c1-3-4-5-6-7-8-10(2)9-11(12)13/h7-8,10H,3-6,9H2,1-2H3,(H,12,13)
InChIKeyWZZXDQPNKLAUNI-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.23
Rot. Bonds7

About 3-methyldec-4-enoic acid

3-methyldec-4-enoic acid (PubChem CID 579940) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-methyldec-4-enoic acid.

Molecular Properties

Compound Name3-methyldec-4-enoic acid
PubChem CID579940
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3-methyldec-4-enoic acid
SMILESCCCCCC=CC(C)CC(=O)O
InChIInChI=1S/C11H20O2/c1-3-4-5-6-7-8-10(2)9-11(12)13/h7-8,10H,3-6,9H2,1-2H3,(H,12,13)
InChIKeyWZZXDQPNKLAUNI-UHFFFAOYSA-N
XLogP3.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.23
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

(Z,3R)-3-methyldec-4-enoic acid
CID 162918439
(Z)-3-methyldec-4-enoic acid
CID 131751127
2-tetradec-1-enylbutanedioic acid
CID 3018655
2-tetracos-1-enylbutanedioic acid
CID 123737122
2-[(E)-dec-1-enyl]butanedioic acid
CID 6365755
9-methylnonadec-10-enoic acid
CID 57288184
cerium;2-dodec-1-enylbutanedioic acid
CID 174928288
azane;2-[(E)-oct-1-enyl]butanedioic acid
CID 173422131
CID 162317914
CID 162317914
azane;2-[(E)-dodec-1-enyl]butanedioic acid
CID 173459339
3-sulfanylcarbonyltridec-4-enoic acid
CID 139797986
sodium;2-[(E)-dodec-1-enyl]butanedioic acid;hydride
CID 173295475

Frequently Asked Questions

What is the IUPAC name of 3-methyldec-4-enoic acid?
The IUPAC name of 3-methyldec-4-enoic acid (CID 579940) is 3-methyldec-4-enoic acid.
What is the SMILES notation for 3-methyldec-4-enoic acid?
The canonical SMILES for 3-methyldec-4-enoic acid is CCCCCC=CC(C)CC(=O)O.
What is the InChIKey of 3-methyldec-4-enoic acid?
The InChIKey is WZZXDQPNKLAUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-4-5-6-7-8-10(2)9-11(12)13/h7-8,10H,3-6,9H2,1-2H3,(H,12,13).
What are the key properties of 3-methyldec-4-enoic acid?
3-methyldec-4-enoic acid has a molecular weight of 184.28 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyldec-4-enoic acid is sourced from PubChem (CID 579940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).