1-[butoxy(butyl)phosphoryl]oxyheptane

C15H33O3P — CID 88847148

IUPAC1-[butoxy(butyl)phosphoryl]oxyheptane
SMILESCCCCCCCOP(=O)(CCCC)OCCCC
InChIInChI=1S/C15H33O3P/c1-4-7-10-11-12-14-18-19(16,15-9-6-3)17-13-8-5-2/h4-15H2,1-3H3
InChIKeyCNQUYULNZAIWQS-UHFFFAOYSA-N
MW292.40 g/mol
LogP5.78
Rot. Bonds14

About 1-[butoxy(butyl)phosphoryl]oxyheptane

1-[butoxy(butyl)phosphoryl]oxyheptane (PubChem CID 88847148) has the molecular formula C15H33O3P and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-[butoxy(butyl)phosphoryl]oxyheptane.

Molecular Properties

Compound Name1-[butoxy(butyl)phosphoryl]oxyheptane
PubChem CID88847148
Molecular FormulaC15H33O3P
Molecular Weight292.40 g/mol
Exact Mass292.22
IUPAC Name1-[butoxy(butyl)phosphoryl]oxyheptane
SMILESCCCCCCCOP(=O)(CCCC)OCCCC
InChIInChI=1S/C15H33O3P/c1-4-7-10-11-12-14-18-19(16,15-9-6-3)17-13-8-5-2/h4-15H2,1-3H3
InChIKeyCNQUYULNZAIWQS-UHFFFAOYSA-N
XLogP5.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.40
LogP ≤ 55.78
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

1-[butyl(hexoxy)phosphoryl]oxyoctadecane
CID 91716589
1-[butyl(pentoxy)phosphoryl]oxypentadecane
CID 91716553
1-[butyl(hexoxy)phosphoryl]oxyhexadecane
CID 91716578
1-dioctoxyphosphoryldecane
CID 141369437
1-didecoxyphosphoryltetradecane
CID 151616748
1-dihexoxyphosphoryltetradecane
CID 151638840
1-diheptoxyphosphoryloctadecane
CID 153322672
1-dibutoxyphosphoryloctacosane
CID 141204672
1-[butyl(2,2-dimethylpropoxy)phosphoryl]oxyheptadecane
CID 91716431
1-[butyl(2-methylpropoxy)phosphoryl]oxyoctadecane
CID 91716506
1-[butyl(2-methylpropoxy)phosphoryl]oxydodecane
CID 91716241
1-[butyl(2-methylpropoxy)phosphoryl]oxypentadecane
CID 91716510

Frequently Asked Questions

What is the IUPAC name of 1-[butoxy(butyl)phosphoryl]oxyheptane?
The IUPAC name of 1-[butoxy(butyl)phosphoryl]oxyheptane (CID 88847148) is 1-[butoxy(butyl)phosphoryl]oxyheptane.
What is the SMILES notation for 1-[butoxy(butyl)phosphoryl]oxyheptane?
The canonical SMILES for 1-[butoxy(butyl)phosphoryl]oxyheptane is CCCCCCCOP(=O)(CCCC)OCCCC.
What is the InChIKey of 1-[butoxy(butyl)phosphoryl]oxyheptane?
The InChIKey is CNQUYULNZAIWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33O3P/c1-4-7-10-11-12-14-18-19(16,15-9-6-3)17-13-8-5-2/h4-15H2,1-3H3.
What are the key properties of 1-[butoxy(butyl)phosphoryl]oxyheptane?
1-[butoxy(butyl)phosphoryl]oxyheptane has a molecular weight of 292.40 g/mol, XLogP of 5.78, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butoxy(butyl)phosphoryl]oxyheptane is sourced from PubChem (CID 88847148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).