decoxy(propyl)phosphane

C13H29OP — CID 87580743

IUPACdecoxy(propyl)phosphane
SMILESCCCCCCCCCCOPCCC
InChIInChI=1S/C13H29OP/c1-3-5-6-7-8-9-10-11-12-14-15-13-4-2/h15H,3-13H2,1-2H3
InChIKeyQLHSTHHGSBXXAP-UHFFFAOYSA-N
MW232.35 g/mol
LogP5.15
Rot. Bonds12

About decoxy(propyl)phosphane

decoxy(propyl)phosphane (PubChem CID 87580743) has the molecular formula C13H29OP and a molecular weight of 232.35 g/mol. Its IUPAC name is decoxy(propyl)phosphane.

Molecular Properties

Compound Namedecoxy(propyl)phosphane
PubChem CID87580743
Molecular FormulaC13H29OP
Molecular Weight232.35 g/mol
Exact Mass232.20
IUPAC Namedecoxy(propyl)phosphane
SMILESCCCCCCCCCCOPCCC
InChIInChI=1S/C13H29OP/c1-3-5-6-7-8-9-10-11-12-14-15-13-4-2/h15H,3-13H2,1-2H3
InChIKeyQLHSTHHGSBXXAP-UHFFFAOYSA-N
XLogP5.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.35
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze decoxy(propyl)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

dodecoxy(propoxy)phosphane
CID 175345564
decane;ruthenium
CID 160818595
bis[(Z)-octadec-9-enoxy]phosphane
CID 88561354
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-decoxydocosane
CID 87077677
1-dodecoxyhexadecane
CID 22256973
dodecylmercury;hydrate
CID 78070234
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-octylperoxynonane
CID 151564626
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729

Frequently Asked Questions

What is the IUPAC name of decoxy(propyl)phosphane?
The IUPAC name of decoxy(propyl)phosphane (CID 87580743) is decoxy(propyl)phosphane.
What is the SMILES notation for decoxy(propyl)phosphane?
The canonical SMILES for decoxy(propyl)phosphane is CCCCCCCCCCOPCCC.
What is the InChIKey of decoxy(propyl)phosphane?
The InChIKey is QLHSTHHGSBXXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29OP/c1-3-5-6-7-8-9-10-11-12-14-15-13-4-2/h15H,3-13H2,1-2H3.
What are the key properties of decoxy(propyl)phosphane?
decoxy(propyl)phosphane has a molecular weight of 232.35 g/mol, XLogP of 5.15, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for decoxy(propyl)phosphane is sourced from PubChem (CID 87580743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).