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

C9H18ClO3P — CID 71365039

IUPAC1-chloro-3-di(propan-2-yloxy)phosphorylprop-1-ene
SMILESCC(C)OP(=O)(CC=CCl)OC(C)C
InChIInChI=1S/C9H18ClO3P/c1-8(2)12-14(11,7-5-6-10)13-9(3)4/h5-6,8-9H,7H2,1-4H3
InChIKeyDGNYQSZQDAMXJH-UHFFFAOYSA-N
MW240.67 g/mol
LogP3.78
Rot. Bonds6

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

1-chloro-3-di(propan-2-yloxy)phosphorylprop-1-ene (PubChem CID 71365039) has the molecular formula C9H18ClO3P and a molecular weight of 240.67 g/mol. Its IUPAC name is 1-chloro-3-di(propan-2-yloxy)phosphorylprop-1-ene.

Molecular Properties

Compound Name1-chloro-3-di(propan-2-yloxy)phosphorylprop-1-ene
PubChem CID71365039
Molecular FormulaC9H18ClO3P
Molecular Weight240.67 g/mol
Exact Mass240.07
IUPAC Name1-chloro-3-di(propan-2-yloxy)phosphorylprop-1-ene
SMILESCC(C)OP(=O)(CC=CCl)OC(C)C
InChIInChI=1S/C9H18ClO3P/c1-8(2)12-14(11,7-5-6-10)13-9(3)4/h5-6,8-9H,7H2,1-4H3
InChIKeyDGNYQSZQDAMXJH-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': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Bis(2-chloro-1-methylethyl) isopropenylphosphonate
CID 247502
(E)-3-chloro-1-diethoxyphosphorylprop-1-ene
CID 13953137
Phosphonic acid, 2-propenyl-, bis(1-methylethyl) ester
CID 4489498
(E)-3-chloro-1-diethoxyphosphorylbut-1-ene
CID 14111830
Diallyl (3-chloropropyl)phosphonate
CID 129807792
4-Chloro-1-diethoxyphosphorylbuta-1,2-diene
CID 134836676
4-Chloro-2-di(propan-2-yloxy)phosphorylbut-1-ene
CID 164665482
Diethyl (3-chloroallyl)phosphonate
CID 86010
(E)-1-chloro-3-diethoxyphosphorylprop-1-ene
CID 6537956
4-Chloro-4-diethoxyphosphorylbut-1-ene
CID 11447487
1-Chloro-3-[3-chloropropoxy(prop-1-enyl)phosphoryl]oxypropane
CID 237882
3-Chloro-1-diethoxyphosphorylprop-1-ene
CID 53660557

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-di(propan-2-yloxy)phosphorylprop-1-ene?
The IUPAC name of 1-chloro-3-di(propan-2-yloxy)phosphorylprop-1-ene (CID 71365039) is 1-chloro-3-di(propan-2-yloxy)phosphorylprop-1-ene.
What is the SMILES notation for 1-chloro-3-di(propan-2-yloxy)phosphorylprop-1-ene?
The canonical SMILES for 1-chloro-3-di(propan-2-yloxy)phosphorylprop-1-ene is CC(C)OP(=O)(CC=CCl)OC(C)C.
What is the InChIKey of 1-chloro-3-di(propan-2-yloxy)phosphorylprop-1-ene?
The InChIKey is DGNYQSZQDAMXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClO3P/c1-8(2)12-14(11,7-5-6-10)13-9(3)4/h5-6,8-9H,7H2,1-4H3.
What are the key properties of 1-chloro-3-di(propan-2-yloxy)phosphorylprop-1-ene?
1-chloro-3-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 1-chloro-3-di(propan-2-yloxy)phosphorylprop-1-ene is sourced from PubChem (CID 71365039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).