(Z)-5-chloro-2-diethoxyphosphorylpent-1-en-1-ol

C9H18ClO4P — CID 10539040

IUPAC(Z)-5-chloro-2-diethoxyphosphorylpent-1-en-1-ol
SMILESCCOP(=O)(OCC)/C(=C\O)CCCCl
InChIInChI=1S/C9H18ClO4P/c1-3-13-15(12,14-4-2)9(8-11)6-5-7-10/h8,11H,3-7H2,1-2H3/b9-8-
InChIKeyARJHXVXMKRCKRU-HJWRWDBZSA-N
MW256.67 g/mol
LogP3.67
Rot. Bonds8

About (Z)-5-chloro-2-diethoxyphosphorylpent-1-en-1-ol

(Z)-5-chloro-2-diethoxyphosphorylpent-1-en-1-ol (PubChem CID 10539040) has the molecular formula C9H18ClO4P and a molecular weight of 256.67 g/mol. Its IUPAC name is (Z)-5-chloro-2-diethoxyphosphorylpent-1-en-1-ol.

Molecular Properties

Compound Name(Z)-5-chloro-2-diethoxyphosphorylpent-1-en-1-ol
PubChem CID10539040
Molecular FormulaC9H18ClO4P
Molecular Weight256.67 g/mol
Exact Mass256.06
IUPAC Name(Z)-5-chloro-2-diethoxyphosphorylpent-1-en-1-ol
SMILESCCOP(=O)(OCC)/C(=C\O)CCCCl
InChIInChI=1S/C9H18ClO4P/c1-3-13-15(12,14-4-2)9(8-11)6-5-7-10/h8,11H,3-7H2,1-2H3/b9-8-
InChIKeyARJHXVXMKRCKRU-HJWRWDBZSA-N
XLogP3.67
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.67
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-chloro-2-diethoxyphosphorylpent-1-en-1-ol?
The IUPAC name of (Z)-5-chloro-2-diethoxyphosphorylpent-1-en-1-ol (CID 10539040) is (Z)-5-chloro-2-diethoxyphosphorylpent-1-en-1-ol.
What is the SMILES notation for (Z)-5-chloro-2-diethoxyphosphorylpent-1-en-1-ol?
The canonical SMILES for (Z)-5-chloro-2-diethoxyphosphorylpent-1-en-1-ol is CCOP(=O)(OCC)/C(=C\O)CCCCl.
What is the InChIKey of (Z)-5-chloro-2-diethoxyphosphorylpent-1-en-1-ol?
The InChIKey is ARJHXVXMKRCKRU-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H18ClO4P/c1-3-13-15(12,14-4-2)9(8-11)6-5-7-10/h8,11H,3-7H2,1-2H3/b9-8-.
What are the key properties of (Z)-5-chloro-2-diethoxyphosphorylpent-1-en-1-ol?
(Z)-5-chloro-2-diethoxyphosphorylpent-1-en-1-ol has a molecular weight of 256.67 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-chloro-2-diethoxyphosphorylpent-1-en-1-ol is sourced from PubChem (CID 10539040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).