(Z)-6-chloro-2-diethoxyphosphorylhex-1-en-1-ol

C10H20ClO4P — CID 10849691

IUPAC(Z)-6-chloro-2-diethoxyphosphorylhex-1-en-1-ol
SMILESCCOP(=O)(OCC)/C(=C\O)CCCCCl
InChIInChI=1S/C10H20ClO4P/c1-3-14-16(13,15-4-2)10(9-12)7-5-6-8-11/h9,12H,3-8H2,1-2H3/b10-9-
InChIKeyRVZNYHNUHBKOEF-KTKRTIGZSA-N
MW270.69 g/mol
LogP4.06
Rot. Bonds9

About (Z)-6-chloro-2-diethoxyphosphorylhex-1-en-1-ol

(Z)-6-chloro-2-diethoxyphosphorylhex-1-en-1-ol (PubChem CID 10849691) has the molecular formula C10H20ClO4P and a molecular weight of 270.69 g/mol. Its IUPAC name is (Z)-6-chloro-2-diethoxyphosphorylhex-1-en-1-ol.

Molecular Properties

Compound Name(Z)-6-chloro-2-diethoxyphosphorylhex-1-en-1-ol
PubChem CID10849691
Molecular FormulaC10H20ClO4P
Molecular Weight270.69 g/mol
Exact Mass270.08
IUPAC Name(Z)-6-chloro-2-diethoxyphosphorylhex-1-en-1-ol
SMILESCCOP(=O)(OCC)/C(=C\O)CCCCCl
InChIInChI=1S/C10H20ClO4P/c1-3-14-16(13,15-4-2)10(9-12)7-5-6-8-11/h9,12H,3-8H2,1-2H3/b10-9-
InChIKeyRVZNYHNUHBKOEF-KTKRTIGZSA-N
XLogP4.06
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.69
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-6-chloro-2-diethoxyphosphorylhex-1-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-6-chloro-2-diethoxyphosphorylhex-1-en-1-ol?
The IUPAC name of (Z)-6-chloro-2-diethoxyphosphorylhex-1-en-1-ol (CID 10849691) is (Z)-6-chloro-2-diethoxyphosphorylhex-1-en-1-ol.
What is the SMILES notation for (Z)-6-chloro-2-diethoxyphosphorylhex-1-en-1-ol?
The canonical SMILES for (Z)-6-chloro-2-diethoxyphosphorylhex-1-en-1-ol is CCOP(=O)(OCC)/C(=C\O)CCCCCl.
What is the InChIKey of (Z)-6-chloro-2-diethoxyphosphorylhex-1-en-1-ol?
The InChIKey is RVZNYHNUHBKOEF-KTKRTIGZSA-N. The full InChI is InChI=1S/C10H20ClO4P/c1-3-14-16(13,15-4-2)10(9-12)7-5-6-8-11/h9,12H,3-8H2,1-2H3/b10-9-.
What are the key properties of (Z)-6-chloro-2-diethoxyphosphorylhex-1-en-1-ol?
(Z)-6-chloro-2-diethoxyphosphorylhex-1-en-1-ol has a molecular weight of 270.69 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-chloro-2-diethoxyphosphorylhex-1-en-1-ol is sourced from PubChem (CID 10849691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).