1,1-bis(4-octadecoxyphenyl)decylphosphane

C58H103O2P — CID 22342118

IUPAC1,1-bis(4-octadecoxyphenyl)decylphosphane
SMILESCCCCCCCCCCCCCCCCCCOc1ccc(C(P)(CCCCCCCCC)c2ccc(OCCCCCCCCCCCCCCCCCC)cc2)cc1
InChIInChI=1S/C58H103O2P/c1-4-7-10-13-16-18-20-22-24-26-28-30-32-35-38-41-52-59-56-47-43-54(44-48-56)58(61,51-40-37-34-15-12-9-6-3)55-45-49-57(50-46-55)60-53-42-39-36-33-31-29-27-25-23-21-19-17-14-11-8-5-2/h43-50H,4-42,51-53,61H2,1-3H3
InChIKeyDVXYUQMTZJPTQQ-UHFFFAOYSA-N
MW863.43 g/mol
LogP20.23
Rot. Bonds46

About 1,1-bis(4-octadecoxyphenyl)decylphosphane

1,1-bis(4-octadecoxyphenyl)decylphosphane (PubChem CID 22342118) has the molecular formula C58H103O2P and a molecular weight of 863.43 g/mol. Its IUPAC name is 1,1-bis(4-octadecoxyphenyl)decylphosphane.

Molecular Properties

Compound Name1,1-bis(4-octadecoxyphenyl)decylphosphane
PubChem CID22342118
Molecular FormulaC58H103O2P
Molecular Weight863.43 g/mol
Exact Mass862.77
IUPAC Name1,1-bis(4-octadecoxyphenyl)decylphosphane
SMILESCCCCCCCCCCCCCCCCCCOc1ccc(C(P)(CCCCCCCCC)c2ccc(OCCCCCCCCCCCCCCCCCC)cc2)cc1
InChIInChI=1S/C58H103O2P/c1-4-7-10-13-16-18-20-22-24-26-28-30-32-35-38-41-52-59-56-47-43-54(44-48-56)58(61,51-40-37-34-15-12-9-6-3)55-45-49-57(50-46-55)60-53-42-39-36-33-31-29-27-25-23-21-19-17-14-11-8-5-2/h43-50H,4-42,51-53,61H2,1-3H3
InChIKeyDVXYUQMTZJPTQQ-UHFFFAOYSA-N
XLogP20.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds46
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500863.43
LogP ≤ 520.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1-bis(4-octadecoxyphenyl)decylphosphane with MolForge

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

Launch Full Analysis

Related Compounds

1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
1,4-dipentoxybenzene
CID 18314717
1-heptoxy-4-[(4-heptoxyphenyl)-diphenylmethyl]benzene
CID 118498507
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
2-[4-[2-[4-(2-hydroxyethoxy)phenyl]dodecan-2-yl]phenoxy]ethanol
CID 139685224
2-[4-(2-methyloctan-2-yl)phenoxy]ethanol
CID 102437281
1-methoxy-4-tetradecoxybenzene
CID 91712423
1-octoxy-4-[3-(4-pentylcyclohexyl)propoxy]benzene
CID 54461890
1-butoxy-4-(trifluoromethyl)benzene
CID 16731800
4-octadecoxyphenol
CID 22179059

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(4-octadecoxyphenyl)decylphosphane?
The IUPAC name of 1,1-bis(4-octadecoxyphenyl)decylphosphane (CID 22342118) is 1,1-bis(4-octadecoxyphenyl)decylphosphane.
What is the SMILES notation for 1,1-bis(4-octadecoxyphenyl)decylphosphane?
The canonical SMILES for 1,1-bis(4-octadecoxyphenyl)decylphosphane is CCCCCCCCCCCCCCCCCCOc1ccc(C(P)(CCCCCCCCC)c2ccc(OCCCCCCCCCCCCCCCCCC)cc2)cc1.
What is the InChIKey of 1,1-bis(4-octadecoxyphenyl)decylphosphane?
The InChIKey is DVXYUQMTZJPTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H103O2P/c1-4-7-10-13-16-18-20-22-24-26-28-30-32-35-38-41-52-59-56-47-43-54(44-48-56)58(61,51-40-37-34-15-12-9-6-3)55-45-49-57(50-46-55)60-53-42-39-36-33-31-29-27-25-23-21-19-17-14-11-8-5-2/h43-50H,4-42,51-53,61H2,1-3H3.
What are the key properties of 1,1-bis(4-octadecoxyphenyl)decylphosphane?
1,1-bis(4-octadecoxyphenyl)decylphosphane has a molecular weight of 863.43 g/mol, XLogP of 20.23, 46 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4-octadecoxyphenyl)decylphosphane is sourced from PubChem (CID 22342118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).