1-[ethyl(pentoxy)phosphoryl]oxypentane

C12H27O3P — CID 574202

IUPAC1-[ethyl(pentoxy)phosphoryl]oxypentane
SMILESCCCCCOP(=O)(CC)OCCCCC
InChIInChI=1S/C12H27O3P/c1-4-7-9-11-14-16(13,6-3)15-12-10-8-5-2/h4-12H2,1-3H3
InChIKeyGBVHWYXKZQLQEI-UHFFFAOYSA-N
MW250.32 g/mol
LogP4.61
Rot. Bonds11

About 1-[ethyl(pentoxy)phosphoryl]oxypentane

1-[ethyl(pentoxy)phosphoryl]oxypentane (PubChem CID 574202) has the molecular formula C12H27O3P and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-[ethyl(pentoxy)phosphoryl]oxypentane.

Molecular Properties

Compound Name1-[ethyl(pentoxy)phosphoryl]oxypentane
PubChem CID574202
Molecular FormulaC12H27O3P
Molecular Weight250.32 g/mol
Exact Mass250.17
IUPAC Name1-[ethyl(pentoxy)phosphoryl]oxypentane
SMILESCCCCCOP(=O)(CC)OCCCCC
InChIInChI=1S/C12H27O3P/c1-4-7-9-11-14-16(13,6-3)15-12-10-8-5-2/h4-12H2,1-3H3
InChIKeyGBVHWYXKZQLQEI-UHFFFAOYSA-N
XLogP4.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 54.61
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-[ethyl(pentoxy)phosphoryl]oxypentane?
The IUPAC name of 1-[ethyl(pentoxy)phosphoryl]oxypentane (CID 574202) is 1-[ethyl(pentoxy)phosphoryl]oxypentane.
What is the SMILES notation for 1-[ethyl(pentoxy)phosphoryl]oxypentane?
The canonical SMILES for 1-[ethyl(pentoxy)phosphoryl]oxypentane is CCCCCOP(=O)(CC)OCCCCC.
What is the InChIKey of 1-[ethyl(pentoxy)phosphoryl]oxypentane?
The InChIKey is GBVHWYXKZQLQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27O3P/c1-4-7-9-11-14-16(13,6-3)15-12-10-8-5-2/h4-12H2,1-3H3.
What are the key properties of 1-[ethyl(pentoxy)phosphoryl]oxypentane?
1-[ethyl(pentoxy)phosphoryl]oxypentane has a molecular weight of 250.32 g/mol, XLogP of 4.61, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(pentoxy)phosphoryl]oxypentane is sourced from PubChem (CID 574202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).