1-[methyl(pentoxy)phosphoryl]oxypentane

C11H25O3P — CID 13839

IUPAC1-[methyl(pentoxy)phosphoryl]oxypentane
SMILESCCCCCOP(C)(=O)OCCCCC
InChIInChI=1S/C11H25O3P/c1-4-6-8-10-13-15(3,12)14-11-9-7-5-2/h4-11H2,1-3H3
InChIKeyIYWHBXSPNUEWOS-UHFFFAOYSA-N
MW236.29 g/mol
LogP4.22
Rot. Bonds10

About 1-[methyl(pentoxy)phosphoryl]oxypentane

1-[methyl(pentoxy)phosphoryl]oxypentane (PubChem CID 13839) has the molecular formula C11H25O3P and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-[methyl(pentoxy)phosphoryl]oxypentane.

Molecular Properties

Compound Name1-[methyl(pentoxy)phosphoryl]oxypentane
PubChem CID13839
Molecular FormulaC11H25O3P
Molecular Weight236.29 g/mol
Exact Mass236.15
IUPAC Name1-[methyl(pentoxy)phosphoryl]oxypentane
SMILESCCCCCOP(C)(=O)OCCCCC
InChIInChI=1S/C11H25O3P/c1-4-6-8-10-13-15(3,12)14-11-9-7-5-2/h4-11H2,1-3H3
InChIKeyIYWHBXSPNUEWOS-UHFFFAOYSA-N
XLogP4.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 54.22
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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Related Compounds

Tributyl Phosphate
CID 31357
Dibutyl hydrogen phosphite
CID 6327349
Dibutyl butylphosphonate
CID 6539
Diamyl amylphosphonate
CID 80880
Tripentyl phosphate
CID 75665
Phosphoric acid, dipentyl ester
CID 76589
Dibutyl propylphosphonate
CID 99440
Phosphoric acid, diethyl pentyl ester
CID 29998
Phosphoric acid, butyl diethyl ester
CID 75956
Diethyl P-hexylphosphonate
CID 85311
Dibutyl methylphosphonate
CID 16994
Phosphorous acid, tripentyl ester
CID 13696994

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(pentoxy)phosphoryl]oxypentane?
The IUPAC name of 1-[methyl(pentoxy)phosphoryl]oxypentane (CID 13839) is 1-[methyl(pentoxy)phosphoryl]oxypentane.
What is the SMILES notation for 1-[methyl(pentoxy)phosphoryl]oxypentane?
The canonical SMILES for 1-[methyl(pentoxy)phosphoryl]oxypentane is CCCCCOP(C)(=O)OCCCCC.
What is the InChIKey of 1-[methyl(pentoxy)phosphoryl]oxypentane?
The InChIKey is IYWHBXSPNUEWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25O3P/c1-4-6-8-10-13-15(3,12)14-11-9-7-5-2/h4-11H2,1-3H3.
What are the key properties of 1-[methyl(pentoxy)phosphoryl]oxypentane?
1-[methyl(pentoxy)phosphoryl]oxypentane has a molecular weight of 236.29 g/mol, XLogP of 4.22, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(pentoxy)phosphoryl]oxypentane is sourced from PubChem (CID 13839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).