5-chloro-2-di(propan-2-yloxy)phosphorylpent-1-ene

C11H22ClO3P — CID 44515128

IUPAC5-chloro-2-di(propan-2-yloxy)phosphorylpent-1-ene
SMILESC=C(CCCCl)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C11H22ClO3P/c1-9(2)14-16(13,15-10(3)4)11(5)7-6-8-12/h9-10H,5-8H2,1-4H3
InChIKeyMYNHDPUBWAZDNL-UHFFFAOYSA-N
MW268.72 g/mol
LogP4.56
Rot. Bonds8

About 5-chloro-2-di(propan-2-yloxy)phosphorylpent-1-ene

5-chloro-2-di(propan-2-yloxy)phosphorylpent-1-ene (PubChem CID 44515128) has the molecular formula C11H22ClO3P and a molecular weight of 268.72 g/mol. Its IUPAC name is 5-chloro-2-di(propan-2-yloxy)phosphorylpent-1-ene.

Molecular Properties

Compound Name5-chloro-2-di(propan-2-yloxy)phosphorylpent-1-ene
PubChem CID44515128
Molecular FormulaC11H22ClO3P
Molecular Weight268.72 g/mol
Exact Mass268.10
IUPAC Name5-chloro-2-di(propan-2-yloxy)phosphorylpent-1-ene
SMILESC=C(CCCCl)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C11H22ClO3P/c1-9(2)14-16(13,15-10(3)4)11(5)7-6-8-12/h9-10H,5-8H2,1-4H3
InChIKeyMYNHDPUBWAZDNL-UHFFFAOYSA-N
XLogP4.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.72
LogP ≤ 54.56
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-di(propan-2-yloxy)phosphorylpent-1-ene?
The IUPAC name of 5-chloro-2-di(propan-2-yloxy)phosphorylpent-1-ene (CID 44515128) is 5-chloro-2-di(propan-2-yloxy)phosphorylpent-1-ene.
What is the SMILES notation for 5-chloro-2-di(propan-2-yloxy)phosphorylpent-1-ene?
The canonical SMILES for 5-chloro-2-di(propan-2-yloxy)phosphorylpent-1-ene is C=C(CCCCl)P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of 5-chloro-2-di(propan-2-yloxy)phosphorylpent-1-ene?
The InChIKey is MYNHDPUBWAZDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClO3P/c1-9(2)14-16(13,15-10(3)4)11(5)7-6-8-12/h9-10H,5-8H2,1-4H3.
What are the key properties of 5-chloro-2-di(propan-2-yloxy)phosphorylpent-1-ene?
5-chloro-2-di(propan-2-yloxy)phosphorylpent-1-ene has a molecular weight of 268.72 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-di(propan-2-yloxy)phosphorylpent-1-ene is sourced from PubChem (CID 44515128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).