7-butyltridecan-7-ylphosphane

C17H37P — CID 118892798

IUPAC7-butyltridecan-7-ylphosphane
SMILESCCCCCCC(P)(CCCC)CCCCCC
InChIInChI=1S/C17H37P/c1-4-7-10-12-15-17(18,14-9-6-3)16-13-11-8-5-2/h4-16,18H2,1-3H3
InChIKeyRPCSTXAUYUEUHE-UHFFFAOYSA-N
MW272.46 g/mol
LogP6.73
Rot. Bonds13

About 7-butyltridecan-7-ylphosphane

7-butyltridecan-7-ylphosphane (PubChem CID 118892798) has the molecular formula C17H37P and a molecular weight of 272.46 g/mol. Its IUPAC name is 7-butyltridecan-7-ylphosphane.

Molecular Properties

Compound Name7-butyltridecan-7-ylphosphane
PubChem CID118892798
Molecular FormulaC17H37P
Molecular Weight272.46 g/mol
Exact Mass272.26
IUPAC Name7-butyltridecan-7-ylphosphane
SMILESCCCCCCC(P)(CCCC)CCCCCC
InChIInChI=1S/C17H37P/c1-4-7-10-12-15-17(18,14-9-6-3)16-13-11-8-5-2/h4-16,18H2,1-3H3
InChIKeyRPCSTXAUYUEUHE-UHFFFAOYSA-N
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.46
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 7-butyltridecan-7-ylphosphane 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

12-undecyltricosan-12-ylphosphane
CID 21324491
12-undecyltricosan-12-ylphosphane;hydrate
CID 173445625
13-dodecylpentacosan-13-ylphosphane;hydroiodide
CID 173401812
7-hexyltridecan-7-ylphosphane;hydrobromide
CID 173158553
5-butylnonan-5-ylphosphane;phosphane;hydroiodide
CID 174377690
9-phosphanylheptacosan-9-ylphosphane
CID 174586813
2-pentyl-2-phosphanylpropane-1,3-diol
CID 87113603
9-octylheptadecan-9-ylphosphane;trifluoromethanesulfonic acid
CID 173110087
10,10-dibutylicosane
CID 151498539
5-butyl-5-methylpentadecane
CID 174700907
5,5,6,6-tetramethyltridecane
CID 173349107
8-hexyl-8-pentylhexadecane
CID 521602

Frequently Asked Questions

What is the IUPAC name of 7-butyltridecan-7-ylphosphane?
The IUPAC name of 7-butyltridecan-7-ylphosphane (CID 118892798) is 7-butyltridecan-7-ylphosphane.
What is the SMILES notation for 7-butyltridecan-7-ylphosphane?
The canonical SMILES for 7-butyltridecan-7-ylphosphane is CCCCCCC(P)(CCCC)CCCCCC.
What is the InChIKey of 7-butyltridecan-7-ylphosphane?
The InChIKey is RPCSTXAUYUEUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37P/c1-4-7-10-12-15-17(18,14-9-6-3)16-13-11-8-5-2/h4-16,18H2,1-3H3.
What are the key properties of 7-butyltridecan-7-ylphosphane?
7-butyltridecan-7-ylphosphane has a molecular weight of 272.46 g/mol, XLogP of 6.73, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyltridecan-7-ylphosphane is sourced from PubChem (CID 118892798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).