2,3,5,6,7,15-hexachloropentadec-14-en-4-ol

C15H24Cl6O — CID 85217915

IUPAC2,3,5,6,7,15-hexachloropentadec-14-en-4-ol
SMILESCC(Cl)C(Cl)C(O)C(Cl)C(Cl)C(Cl)CCCCCCC=CCl
InChIInChI=1S/C15H24Cl6O/c1-10(17)12(19)15(22)14(21)13(20)11(18)8-6-4-2-3-5-7-9-16/h7,9-15,22H,2-6,8H2,1H3
InChIKeyVQLAUCXPJDIMTF-UHFFFAOYSA-N
MW433.07 g/mol
LogP6.50
Rot. Bonds12

About 2,3,5,6,7,15-hexachloropentadec-14-en-4-ol

2,3,5,6,7,15-hexachloropentadec-14-en-4-ol (PubChem CID 85217915) has the molecular formula C15H24Cl6O and a molecular weight of 433.07 g/mol. Its IUPAC name is 2,3,5,6,7,15-hexachloropentadec-14-en-4-ol.

Molecular Properties

Compound Name2,3,5,6,7,15-hexachloropentadec-14-en-4-ol
PubChem CID85217915
Molecular FormulaC15H24Cl6O
Molecular Weight433.07 g/mol
Exact Mass430.00
IUPAC Name2,3,5,6,7,15-hexachloropentadec-14-en-4-ol
SMILESCC(Cl)C(Cl)C(O)C(Cl)C(Cl)C(Cl)CCCCCCC=CCl
InChIInChI=1S/C15H24Cl6O/c1-10(17)12(19)15(22)14(21)13(20)11(18)8-6-4-2-3-5-7-9-16/h7,9-15,22H,2-6,8H2,1H3
InChIKeyVQLAUCXPJDIMTF-UHFFFAOYSA-N
XLogP6.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.07
LogP ≤ 56.50
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'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6,7,15-hexachloropentadec-14-en-4-ol?
The IUPAC name of 2,3,5,6,7,15-hexachloropentadec-14-en-4-ol (CID 85217915) is 2,3,5,6,7,15-hexachloropentadec-14-en-4-ol.
What is the SMILES notation for 2,3,5,6,7,15-hexachloropentadec-14-en-4-ol?
The canonical SMILES for 2,3,5,6,7,15-hexachloropentadec-14-en-4-ol is CC(Cl)C(Cl)C(O)C(Cl)C(Cl)C(Cl)CCCCCCC=CCl.
What is the InChIKey of 2,3,5,6,7,15-hexachloropentadec-14-en-4-ol?
The InChIKey is VQLAUCXPJDIMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24Cl6O/c1-10(17)12(19)15(22)14(21)13(20)11(18)8-6-4-2-3-5-7-9-16/h7,9-15,22H,2-6,8H2,1H3.
What are the key properties of 2,3,5,6,7,15-hexachloropentadec-14-en-4-ol?
2,3,5,6,7,15-hexachloropentadec-14-en-4-ol has a molecular weight of 433.07 g/mol, XLogP of 6.50, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6,7,15-hexachloropentadec-14-en-4-ol is sourced from PubChem (CID 85217915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).