butyl(dipropoxy)phosphane

C10H23O2P — CID 87672656

IUPACbutyl(dipropoxy)phosphane
SMILESCCCCP(OCCC)OCCC
InChIInChI=1S/C10H23O2P/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-10H2,1-3H3
InChIKeyXBRDHOWMKXPSFK-UHFFFAOYSA-N
MW206.27 g/mol
LogP3.95
Rot. Bonds9

About butyl(dipropoxy)phosphane

butyl(dipropoxy)phosphane (PubChem CID 87672656) has the molecular formula C10H23O2P and a molecular weight of 206.27 g/mol. Its IUPAC name is butyl(dipropoxy)phosphane.

Molecular Properties

Compound Namebutyl(dipropoxy)phosphane
PubChem CID87672656
Molecular FormulaC10H23O2P
Molecular Weight206.27 g/mol
Exact Mass206.14
IUPAC Namebutyl(dipropoxy)phosphane
SMILESCCCCP(OCCC)OCCC
InChIInChI=1S/C10H23O2P/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-10H2,1-3H3
InChIKeyXBRDHOWMKXPSFK-UHFFFAOYSA-N
XLogP3.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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

Frequently Asked Questions

What is the IUPAC name of butyl(dipropoxy)phosphane?
The IUPAC name of butyl(dipropoxy)phosphane (CID 87672656) is butyl(dipropoxy)phosphane.
What is the SMILES notation for butyl(dipropoxy)phosphane?
The canonical SMILES for butyl(dipropoxy)phosphane is CCCCP(OCCC)OCCC.
What is the InChIKey of butyl(dipropoxy)phosphane?
The InChIKey is XBRDHOWMKXPSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23O2P/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-10H2,1-3H3.
What are the key properties of butyl(dipropoxy)phosphane?
butyl(dipropoxy)phosphane has a molecular weight of 206.27 g/mol, XLogP of 3.95, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(dipropoxy)phosphane is sourced from PubChem (CID 87672656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).