(E)-10-bromodec-7-enoic acid

C10H17BrO2 — CID 175220606

IUPAC(E)-10-bromodec-7-enoic acid
SMILESO=C(O)CCCCC/C=C/CCBr
InChIInChI=1S/C10H17BrO2/c11-9-7-5-3-1-2-4-6-8-10(12)13/h3,5H,1-2,4,6-9H2,(H,12,13)/b5-3+
InChIKeyPEVKPJVASSWFPZ-HWKANZROSA-N
MW249.15 g/mol
LogP3.36
Rot. Bonds8

About (E)-10-bromodec-7-enoic acid

(E)-10-bromodec-7-enoic acid (PubChem CID 175220606) has the molecular formula C10H17BrO2 and a molecular weight of 249.15 g/mol. Its IUPAC name is (E)-10-bromodec-7-enoic acid.

Molecular Properties

Compound Name(E)-10-bromodec-7-enoic acid
PubChem CID175220606
Molecular FormulaC10H17BrO2
Molecular Weight249.15 g/mol
Exact Mass248.04
IUPAC Name(E)-10-bromodec-7-enoic acid
SMILESO=C(O)CCCCC/C=C/CCBr
InChIInChI=1S/C10H17BrO2/c11-9-7-5-3-1-2-4-6-8-10(12)13/h3,5H,1-2,4,6-9H2,(H,12,13)/b5-3+
InChIKeyPEVKPJVASSWFPZ-HWKANZROSA-N
XLogP3.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.15
LogP ≤ 53.36
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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Related Compounds

(E)-16-bromohexadec-9-enoic acid
CID 5312946
(9Z,30Z)-nonatriaconta-9,30-dienedioic acid
CID 151731001
(9Z,33Z)-dotetraconta-9,33-dienedioic acid
CID 87211353
nonatriaconta-9,30-dienedioic acid
CID 151730999
tetradec-6-enedioic acid
CID 151545129
(Z)-dodec-5-enedioic acid
CID 86751837
(E)-octadec-4-enedioic acid
CID 166071490
(E)-pentadec-4-enedioic acid
CID 156873655
(9Z,12Z)-henicosa-9,12-dienedioic acid
CID 88967017
15-hydroxypentadec-10-enoic acid
CID 165358734
(Z)-32-hydroxydotriacont-23-enoic acid
CID 13377993
docos-13-enoic acid
CID 173024393

Frequently Asked Questions

What is the IUPAC name of (E)-10-bromodec-7-enoic acid?
The IUPAC name of (E)-10-bromodec-7-enoic acid (CID 175220606) is (E)-10-bromodec-7-enoic acid.
What is the SMILES notation for (E)-10-bromodec-7-enoic acid?
The canonical SMILES for (E)-10-bromodec-7-enoic acid is O=C(O)CCCCC/C=C/CCBr.
What is the InChIKey of (E)-10-bromodec-7-enoic acid?
The InChIKey is PEVKPJVASSWFPZ-HWKANZROSA-N. The full InChI is InChI=1S/C10H17BrO2/c11-9-7-5-3-1-2-4-6-8-10(12)13/h3,5H,1-2,4,6-9H2,(H,12,13)/b5-3+.
What are the key properties of (E)-10-bromodec-7-enoic acid?
(E)-10-bromodec-7-enoic acid has a molecular weight of 249.15 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-10-bromodec-7-enoic acid is sourced from PubChem (CID 175220606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).