1-[bis(7-methoxyheptyl)phosphoryl]-7-methoxyheptane

C24H51O4P — CID 126564283

IUPAC1-[bis(7-methoxyheptyl)phosphoryl]-7-methoxyheptane
SMILESCOCCCCCCCP(=O)(CCCCCCCOC)CCCCCCCOC
InChIInChI=1S/C24H51O4P/c1-26-19-13-7-4-10-16-22-29(25,23-17-11-5-8-14-20-27-2)24-18-12-6-9-15-21-28-3/h4-24H2,1-3H3
InChIKeyVZIOKKCOFNZCPQ-UHFFFAOYSA-N
MW434.64 g/mol
LogP7.14
Rot. Bonds24

About 1-[bis(7-methoxyheptyl)phosphoryl]-7-methoxyheptane

1-[bis(7-methoxyheptyl)phosphoryl]-7-methoxyheptane (PubChem CID 126564283) has the molecular formula C24H51O4P and a molecular weight of 434.64 g/mol. Its IUPAC name is 1-[bis(7-methoxyheptyl)phosphoryl]-7-methoxyheptane.

Molecular Properties

Compound Name1-[bis(7-methoxyheptyl)phosphoryl]-7-methoxyheptane
PubChem CID126564283
Molecular FormulaC24H51O4P
Molecular Weight434.64 g/mol
Exact Mass434.35
IUPAC Name1-[bis(7-methoxyheptyl)phosphoryl]-7-methoxyheptane
SMILESCOCCCCCCCP(=O)(CCCCCCCOC)CCCCCCCOC
InChIInChI=1S/C24H51O4P/c1-26-19-13-7-4-10-16-22-29(25,23-17-11-5-8-14-20-27-2)24-18-12-6-9-15-21-28-3/h4-24H2,1-3H3
InChIKeyVZIOKKCOFNZCPQ-UHFFFAOYSA-N
XLogP7.14
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.64
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[bis(7-methoxyheptyl)phosphoryl]-7-methoxyheptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[bis(7-methoxyheptyl)phosphoryl]-7-methoxyheptane?
The IUPAC name of 1-[bis(7-methoxyheptyl)phosphoryl]-7-methoxyheptane (CID 126564283) is 1-[bis(7-methoxyheptyl)phosphoryl]-7-methoxyheptane.
What is the SMILES notation for 1-[bis(7-methoxyheptyl)phosphoryl]-7-methoxyheptane?
The canonical SMILES for 1-[bis(7-methoxyheptyl)phosphoryl]-7-methoxyheptane is COCCCCCCCP(=O)(CCCCCCCOC)CCCCCCCOC.
What is the InChIKey of 1-[bis(7-methoxyheptyl)phosphoryl]-7-methoxyheptane?
The InChIKey is VZIOKKCOFNZCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51O4P/c1-26-19-13-7-4-10-16-22-29(25,23-17-11-5-8-14-20-27-2)24-18-12-6-9-15-21-28-3/h4-24H2,1-3H3.
What are the key properties of 1-[bis(7-methoxyheptyl)phosphoryl]-7-methoxyheptane?
1-[bis(7-methoxyheptyl)phosphoryl]-7-methoxyheptane has a molecular weight of 434.64 g/mol, XLogP of 7.14, 24 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(7-methoxyheptyl)phosphoryl]-7-methoxyheptane is sourced from PubChem (CID 126564283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).