7-[chloro(ethoxy)phosphoryl]hept-1-ene

C9H18ClO2P — CID 10353603

IUPAC7-[chloro(ethoxy)phosphoryl]hept-1-ene
SMILESC=CCCCCCP(=O)(Cl)OCC
InChIInChI=1S/C9H18ClO2P/c1-3-5-6-7-8-9-13(10,11)12-4-2/h3H,1,4-9H2,2H3
InChIKeyBTYNNNIZIXOMOO-UHFFFAOYSA-N
MW224.67 g/mol
LogP4.20
Rot. Bonds8

About 7-[chloro(ethoxy)phosphoryl]hept-1-ene

7-[chloro(ethoxy)phosphoryl]hept-1-ene (PubChem CID 10353603) has the molecular formula C9H18ClO2P and a molecular weight of 224.67 g/mol. Its IUPAC name is 7-[chloro(ethoxy)phosphoryl]hept-1-ene.

Molecular Properties

Compound Name7-[chloro(ethoxy)phosphoryl]hept-1-ene
PubChem CID10353603
Molecular FormulaC9H18ClO2P
Molecular Weight224.67 g/mol
Exact Mass224.07
IUPAC Name7-[chloro(ethoxy)phosphoryl]hept-1-ene
SMILESC=CCCCCCP(=O)(Cl)OCC
InChIInChI=1S/C9H18ClO2P/c1-3-5-6-7-8-9-13(10,11)12-4-2/h3H,1,4-9H2,2H3
InChIKeyBTYNNNIZIXOMOO-UHFFFAOYSA-N
XLogP4.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.67
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[chloro(ethoxy)phosphoryl]hept-1-ene?
The IUPAC name of 7-[chloro(ethoxy)phosphoryl]hept-1-ene (CID 10353603) is 7-[chloro(ethoxy)phosphoryl]hept-1-ene.
What is the SMILES notation for 7-[chloro(ethoxy)phosphoryl]hept-1-ene?
The canonical SMILES for 7-[chloro(ethoxy)phosphoryl]hept-1-ene is C=CCCCCCP(=O)(Cl)OCC.
What is the InChIKey of 7-[chloro(ethoxy)phosphoryl]hept-1-ene?
The InChIKey is BTYNNNIZIXOMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClO2P/c1-3-5-6-7-8-9-13(10,11)12-4-2/h3H,1,4-9H2,2H3.
What are the key properties of 7-[chloro(ethoxy)phosphoryl]hept-1-ene?
7-[chloro(ethoxy)phosphoryl]hept-1-ene has a molecular weight of 224.67 g/mol, XLogP of 4.20, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[chloro(ethoxy)phosphoryl]hept-1-ene is sourced from PubChem (CID 10353603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).