benzene;butyl(dipropoxy)phosphane

C16H29O2P — CID 158448165

IUPACbenzene;butyl(dipropoxy)phosphane
SMILESCCCCP(OCCC)OCCC.c1ccccc1
InChIInChI=1S/C10H23O2P.C6H6/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-4-6-5-3-1/h4-10H2,1-3H3;1-6H
InChIKeyHDQKKHGCZPWBDP-UHFFFAOYSA-N
MW284.38 g/mol
LogP5.64
Rot. Bonds9

About benzene;butyl(dipropoxy)phosphane

benzene;butyl(dipropoxy)phosphane (PubChem CID 158448165) has the molecular formula C16H29O2P and a molecular weight of 284.38 g/mol. Its IUPAC name is benzene;butyl(dipropoxy)phosphane.

Molecular Properties

Compound Namebenzene;butyl(dipropoxy)phosphane
PubChem CID158448165
Molecular FormulaC16H29O2P
Molecular Weight284.38 g/mol
Exact Mass284.19
IUPAC Namebenzene;butyl(dipropoxy)phosphane
SMILESCCCCP(OCCC)OCCC.c1ccccc1
InChIInChI=1S/C10H23O2P.C6H6/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-4-6-5-3-1/h4-10H2,1-3H3;1-6H
InChIKeyHDQKKHGCZPWBDP-UHFFFAOYSA-N
XLogP5.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.38
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze benzene;butyl(dipropoxy)phosphane 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

butyl(dipropoxy)phosphane
CID 87672656
butyl(dioctoxy)phosphane
CID 139899840
diethoxy(pentyl)phosphane
CID 21107293
butyl(dimethoxy)phosphane
CID 14855639
butoxy-butyl-ditert-butylphosphanyloxyphosphane
CID 13184503
bis[[butyl(ethoxy)phosphanyl]oxy]alumanyloxy-butyl-ethoxyphosphane
CID 156788715
ruthenium;tetrakis(tributylphosphane)
CID 137286049
propoxy(dipropyl)phosphane
CID 584525
benzene;decane;methoxymethane
CID 90906941
dichloro(propoxy)phosphane
CID 536189
dibutyl(phenoxy)phosphane
CID 12525167
propyl tetradecyl hydrogen phosphite
CID 121403997

Frequently Asked Questions

What is the IUPAC name of benzene;butyl(dipropoxy)phosphane?
The IUPAC name of benzene;butyl(dipropoxy)phosphane (CID 158448165) is benzene;butyl(dipropoxy)phosphane.
What is the SMILES notation for benzene;butyl(dipropoxy)phosphane?
The canonical SMILES for benzene;butyl(dipropoxy)phosphane is CCCCP(OCCC)OCCC.c1ccccc1.
What is the InChIKey of benzene;butyl(dipropoxy)phosphane?
The InChIKey is HDQKKHGCZPWBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23O2P.C6H6/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-4-6-5-3-1/h4-10H2,1-3H3;1-6H.
What are the key properties of benzene;butyl(dipropoxy)phosphane?
benzene;butyl(dipropoxy)phosphane has a molecular weight of 284.38 g/mol, XLogP of 5.64, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;butyl(dipropoxy)phosphane is sourced from PubChem (CID 158448165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).