(3Z,9Z)-13-bromo-7,12-dichloropentadeca-3,9-dien-1-yn-6-ol

C15H21BrCl2O — CID 54584270

IUPAC(3Z,9Z)-13-bromo-7,12-dichloropentadeca-3,9-dien-1-yn-6-ol
SMILESC#C/C=C\CC(O)C(Cl)C/C=C\CC(Cl)C(Br)CC
InChIInChI=1S/C15H21BrCl2O/c1-3-5-6-11-15(19)14(18)10-8-7-9-13(17)12(16)4-2/h1,5-8,12-15,19H,4,9-11H2,2H3/b6-5-,8-7-
InChIKeyGGOGTQISOAHDFM-ISTTXYCBSA-N
MW368.14 g/mol
LogP4.65
Rot. Bonds9

About (3Z,9Z)-13-bromo-7,12-dichloropentadeca-3,9-dien-1-yn-6-ol

(3Z,9Z)-13-bromo-7,12-dichloropentadeca-3,9-dien-1-yn-6-ol (PubChem CID 54584270) has the molecular formula C15H21BrCl2O and a molecular weight of 368.14 g/mol. Its IUPAC name is (3Z,9Z)-13-bromo-7,12-dichloropentadeca-3,9-dien-1-yn-6-ol.

Molecular Properties

Compound Name(3Z,9Z)-13-bromo-7,12-dichloropentadeca-3,9-dien-1-yn-6-ol
PubChem CID54584270
Molecular FormulaC15H21BrCl2O
Molecular Weight368.14 g/mol
Exact Mass366.02
IUPAC Name(3Z,9Z)-13-bromo-7,12-dichloropentadeca-3,9-dien-1-yn-6-ol
SMILESC#C/C=C\CC(O)C(Cl)C/C=C\CC(Cl)C(Br)CC
InChIInChI=1S/C15H21BrCl2O/c1-3-5-6-11-15(19)14(18)10-8-7-9-13(17)12(16)4-2/h1,5-8,12-15,19H,4,9-11H2,2H3/b6-5-,8-7-
InChIKeyGGOGTQISOAHDFM-ISTTXYCBSA-N
XLogP4.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.14
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,9Z)-13-bromo-7,12-dichloropentadeca-3,9-dien-1-yn-6-ol?
The IUPAC name of (3Z,9Z)-13-bromo-7,12-dichloropentadeca-3,9-dien-1-yn-6-ol (CID 54584270) is (3Z,9Z)-13-bromo-7,12-dichloropentadeca-3,9-dien-1-yn-6-ol.
What is the SMILES notation for (3Z,9Z)-13-bromo-7,12-dichloropentadeca-3,9-dien-1-yn-6-ol?
The canonical SMILES for (3Z,9Z)-13-bromo-7,12-dichloropentadeca-3,9-dien-1-yn-6-ol is C#C/C=C\CC(O)C(Cl)C/C=C\CC(Cl)C(Br)CC.
What is the InChIKey of (3Z,9Z)-13-bromo-7,12-dichloropentadeca-3,9-dien-1-yn-6-ol?
The InChIKey is GGOGTQISOAHDFM-ISTTXYCBSA-N. The full InChI is InChI=1S/C15H21BrCl2O/c1-3-5-6-11-15(19)14(18)10-8-7-9-13(17)12(16)4-2/h1,5-8,12-15,19H,4,9-11H2,2H3/b6-5-,8-7-.
What are the key properties of (3Z,9Z)-13-bromo-7,12-dichloropentadeca-3,9-dien-1-yn-6-ol?
(3Z,9Z)-13-bromo-7,12-dichloropentadeca-3,9-dien-1-yn-6-ol has a molecular weight of 368.14 g/mol, XLogP of 4.65, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,9Z)-13-bromo-7,12-dichloropentadeca-3,9-dien-1-yn-6-ol is sourced from PubChem (CID 54584270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).