3-chloro-2-di(propan-2-yloxy)phosphorylprop-1-ene

C9H18ClO3P — CID 156773784

IUPAC3-chloro-2-di(propan-2-yloxy)phosphorylprop-1-ene
SMILESC=C(CCl)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C9H18ClO3P/c1-7(2)12-14(11,9(5)6-10)13-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyBFCPQODQQZJAFG-UHFFFAOYSA-N
MW240.67 g/mol
LogP3.78
Rot. Bonds6

About 3-chloro-2-di(propan-2-yloxy)phosphorylprop-1-ene

3-chloro-2-di(propan-2-yloxy)phosphorylprop-1-ene (PubChem CID 156773784) has the molecular formula C9H18ClO3P and a molecular weight of 240.67 g/mol. Its IUPAC name is 3-chloro-2-di(propan-2-yloxy)phosphorylprop-1-ene.

Molecular Properties

Compound Name3-chloro-2-di(propan-2-yloxy)phosphorylprop-1-ene
PubChem CID156773784
Molecular FormulaC9H18ClO3P
Molecular Weight240.67 g/mol
Exact Mass240.07
IUPAC Name3-chloro-2-di(propan-2-yloxy)phosphorylprop-1-ene
SMILESC=C(CCl)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C9H18ClO3P/c1-7(2)12-14(11,9(5)6-10)13-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyBFCPQODQQZJAFG-UHFFFAOYSA-N
XLogP3.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.67
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-chloro-2-di(propan-2-yloxy)phosphorylprop-1-ene 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 3-chloro-2-di(propan-2-yloxy)phosphorylprop-1-ene?
The IUPAC name of 3-chloro-2-di(propan-2-yloxy)phosphorylprop-1-ene (CID 156773784) is 3-chloro-2-di(propan-2-yloxy)phosphorylprop-1-ene.
What is the SMILES notation for 3-chloro-2-di(propan-2-yloxy)phosphorylprop-1-ene?
The canonical SMILES for 3-chloro-2-di(propan-2-yloxy)phosphorylprop-1-ene is C=C(CCl)P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of 3-chloro-2-di(propan-2-yloxy)phosphorylprop-1-ene?
The InChIKey is BFCPQODQQZJAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClO3P/c1-7(2)12-14(11,9(5)6-10)13-8(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 3-chloro-2-di(propan-2-yloxy)phosphorylprop-1-ene?
3-chloro-2-di(propan-2-yloxy)phosphorylprop-1-ene has a molecular weight of 240.67 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-di(propan-2-yloxy)phosphorylprop-1-ene is sourced from PubChem (CID 156773784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).