1-[chloro(pentoxy)phosphoryl]oxypentane

C10H22ClO3P — CID 4549122

IUPAC1-[chloro(pentoxy)phosphoryl]oxypentane
SMILESCCCCCOP(=O)(Cl)OCCCCC
InChIInChI=1S/C10H22ClO3P/c1-3-5-7-9-13-15(11,12)14-10-8-6-4-2/h3-10H2,1-2H3
InChIKeyBTJUVGVQUQYMKY-UHFFFAOYSA-N
MW256.71 g/mol
LogP4.75
Rot. Bonds10

About 1-[chloro(pentoxy)phosphoryl]oxypentane

1-[chloro(pentoxy)phosphoryl]oxypentane (PubChem CID 4549122) has the molecular formula C10H22ClO3P and a molecular weight of 256.71 g/mol. Its IUPAC name is 1-[chloro(pentoxy)phosphoryl]oxypentane.

Molecular Properties

Compound Name1-[chloro(pentoxy)phosphoryl]oxypentane
PubChem CID4549122
Molecular FormulaC10H22ClO3P
Molecular Weight256.71 g/mol
Exact Mass256.10
IUPAC Name1-[chloro(pentoxy)phosphoryl]oxypentane
SMILESCCCCCOP(=O)(Cl)OCCCCC
InChIInChI=1S/C10H22ClO3P/c1-3-5-7-9-13-15(11,12)14-10-8-6-4-2/h3-10H2,1-2H3
InChIKeyBTJUVGVQUQYMKY-UHFFFAOYSA-N
XLogP4.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[chloro(pentoxy)phosphoryl]oxypentane?
The IUPAC name of 1-[chloro(pentoxy)phosphoryl]oxypentane (CID 4549122) is 1-[chloro(pentoxy)phosphoryl]oxypentane.
What is the SMILES notation for 1-[chloro(pentoxy)phosphoryl]oxypentane?
The canonical SMILES for 1-[chloro(pentoxy)phosphoryl]oxypentane is CCCCCOP(=O)(Cl)OCCCCC.
What is the InChIKey of 1-[chloro(pentoxy)phosphoryl]oxypentane?
The InChIKey is BTJUVGVQUQYMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClO3P/c1-3-5-7-9-13-15(11,12)14-10-8-6-4-2/h3-10H2,1-2H3.
What are the key properties of 1-[chloro(pentoxy)phosphoryl]oxypentane?
1-[chloro(pentoxy)phosphoryl]oxypentane has a molecular weight of 256.71 g/mol, XLogP of 4.75, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro(pentoxy)phosphoryl]oxypentane is sourced from PubChem (CID 4549122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).