10-chlorododec-11-enoic acid

C12H21ClO2 — CID 12825590

IUPAC10-chlorododec-11-enoic acid
SMILESC=CC(Cl)CCCCCCCCC(=O)O
InChIInChI=1S/C12H21ClO2/c1-2-11(13)9-7-5-3-4-6-8-10-12(14)15/h2,11H,1,3-10H2,(H,14,15)
InChIKeyPJGRAKVHJAQCTI-UHFFFAOYSA-N
MW232.75 g/mol
LogP3.99
Rot. Bonds10

About 10-chlorododec-11-enoic acid

10-chlorododec-11-enoic acid (PubChem CID 12825590) has the molecular formula C12H21ClO2 and a molecular weight of 232.75 g/mol. Its IUPAC name is 10-chlorododec-11-enoic acid.

Molecular Properties

Compound Name10-chlorododec-11-enoic acid
PubChem CID12825590
Molecular FormulaC12H21ClO2
Molecular Weight232.75 g/mol
Exact Mass232.12
IUPAC Name10-chlorododec-11-enoic acid
SMILESC=CC(Cl)CCCCCCCCC(=O)O
InChIInChI=1S/C12H21ClO2/c1-2-11(13)9-7-5-3-4-6-8-10-12(14)15/h2,11H,1,3-10H2,(H,14,15)
InChIKeyPJGRAKVHJAQCTI-UHFFFAOYSA-N
XLogP3.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.75
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-chlorododec-11-enoic acid?
The IUPAC name of 10-chlorododec-11-enoic acid (CID 12825590) is 10-chlorododec-11-enoic acid.
What is the SMILES notation for 10-chlorododec-11-enoic acid?
The canonical SMILES for 10-chlorododec-11-enoic acid is C=CC(Cl)CCCCCCCCC(=O)O.
What is the InChIKey of 10-chlorododec-11-enoic acid?
The InChIKey is PJGRAKVHJAQCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClO2/c1-2-11(13)9-7-5-3-4-6-8-10-12(14)15/h2,11H,1,3-10H2,(H,14,15).
What are the key properties of 10-chlorododec-11-enoic acid?
10-chlorododec-11-enoic acid has a molecular weight of 232.75 g/mol, XLogP of 3.99, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chlorododec-11-enoic acid is sourced from PubChem (CID 12825590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).