1-diheptoxyphosphoryloctadecane

C32H67O3P — CID 153322672

IUPAC1-diheptoxyphosphoryloctadecane
SMILESCCCCCCCCCCCCCCCCCCP(=O)(OCCCCCCC)OCCCCCCC
InChIInChI=1S/C32H67O3P/c1-4-7-10-13-14-15-16-17-18-19-20-21-22-23-26-29-32-36(33,34-30-27-24-11-8-5-2)35-31-28-25-12-9-6-3/h4-32H2,1-3H3
InChIKeyROUPRBBMULJVEC-UHFFFAOYSA-N
MW530.86 g/mol
LogP12.41
Rot. Bonds31

About 1-diheptoxyphosphoryloctadecane

1-diheptoxyphosphoryloctadecane (PubChem CID 153322672) has the molecular formula C32H67O3P and a molecular weight of 530.86 g/mol. Its IUPAC name is 1-diheptoxyphosphoryloctadecane.

Molecular Properties

Compound Name1-diheptoxyphosphoryloctadecane
PubChem CID153322672
Molecular FormulaC32H67O3P
Molecular Weight530.86 g/mol
Exact Mass530.48
IUPAC Name1-diheptoxyphosphoryloctadecane
SMILESCCCCCCCCCCCCCCCCCCP(=O)(OCCCCCCC)OCCCCCCC
InChIInChI=1S/C32H67O3P/c1-4-7-10-13-14-15-16-17-18-19-20-21-22-23-26-29-32-36(33,34-30-27-24-11-8-5-2)35-31-28-25-12-9-6-3/h4-32H2,1-3H3
InChIKeyROUPRBBMULJVEC-UHFFFAOYSA-N
XLogP12.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds31
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.86
LogP ≤ 512.41
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-dioctoxyphosphoryldecane
CID 141369437
1-didecoxyphosphoryltetradecane
CID 151616748
1-dihexoxyphosphoryltetradecane
CID 151638840
1-[butyl(hexoxy)phosphoryl]oxyoctadecane
CID 91716589
1-[butyl(pentoxy)phosphoryl]oxypentadecane
CID 91716553
1-[butyl(hexoxy)phosphoryl]oxyhexadecane
CID 91716578
1-dibutoxyphosphoryloctacosane
CID 141204672
1-[butoxy(butyl)phosphoryl]oxyheptane
CID 88847148
1-[decyl(methoxy)phosphoryl]oxydecane
CID 174626328
[octadecyl(pentadecoxy)phosphoryl] hypofluorite
CID 154926633
1-[butyl(2,2-dimethylpropoxy)phosphoryl]oxyheptadecane
CID 91716431
3-di(tetradecoxy)phosphorylpropyl-trimethylphosphanium
CID 10580713

Frequently Asked Questions

What is the IUPAC name of 1-diheptoxyphosphoryloctadecane?
The IUPAC name of 1-diheptoxyphosphoryloctadecane (CID 153322672) is 1-diheptoxyphosphoryloctadecane.
What is the SMILES notation for 1-diheptoxyphosphoryloctadecane?
The canonical SMILES for 1-diheptoxyphosphoryloctadecane is CCCCCCCCCCCCCCCCCCP(=O)(OCCCCCCC)OCCCCCCC.
What is the InChIKey of 1-diheptoxyphosphoryloctadecane?
The InChIKey is ROUPRBBMULJVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H67O3P/c1-4-7-10-13-14-15-16-17-18-19-20-21-22-23-26-29-32-36(33,34-30-27-24-11-8-5-2)35-31-28-25-12-9-6-3/h4-32H2,1-3H3.
What are the key properties of 1-diheptoxyphosphoryloctadecane?
1-diheptoxyphosphoryloctadecane has a molecular weight of 530.86 g/mol, XLogP of 12.41, 31 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diheptoxyphosphoryloctadecane is sourced from PubChem (CID 153322672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).