tris(6-methylheptyl)phosphane

C24H51P — CID 14029657

IUPACtris(6-methylheptyl)phosphane
SMILESCC(C)CCCCCP(CCCCCC(C)C)CCCCCC(C)C
InChIInChI=1S/C24H51P/c1-22(2)16-10-7-13-19-25(20-14-8-11-17-23(3)4)21-15-9-12-18-24(5)6/h22-24H,7-21H2,1-6H3
InChIKeyIOCOMSQPEJHCOQ-UHFFFAOYSA-N
MW370.65 g/mol
LogP9.12
Rot. Bonds18

About tris(6-methylheptyl)phosphane

tris(6-methylheptyl)phosphane (PubChem CID 14029657) has the molecular formula C24H51P and a molecular weight of 370.65 g/mol. Its IUPAC name is tris(6-methylheptyl)phosphane.

Molecular Properties

Compound Nametris(6-methylheptyl)phosphane
PubChem CID14029657
Molecular FormulaC24H51P
Molecular Weight370.65 g/mol
Exact Mass370.37
IUPAC Nametris(6-methylheptyl)phosphane
SMILESCC(C)CCCCCP(CCCCCC(C)C)CCCCCC(C)C
InChIInChI=1S/C24H51P/c1-22(2)16-10-7-13-19-25(20-14-8-11-17-23(3)4)21-15-9-12-18-24(5)6/h22-24H,7-21H2,1-6H3
InChIKeyIOCOMSQPEJHCOQ-UHFFFAOYSA-N
XLogP9.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.65
LogP ≤ 59.12
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'}

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Related Compounds

tris(7-methyloctyl)phosphane
CID 141083422
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2,22-dimethyltricosane
CID 58100191
3-[5-[bis(6-methylheptyl)phosphanyl]pentyl]penta-1,4-diene-1,5-dione
CID 160640464
tris(3-methylbutyl)phosphane
CID 14324804
17-methyloctadecane-1,1-diamine
CID 154316058
3-methyltetradecyl(dioctyl)phosphane
CID 174745116
CID 89367682
CID 89367682
tris(2,7-dimethyloctane);ethane;methane
CID 159869544
2-methylpentaoctacontane
CID 90745672
2-methyldecane
CID 23415
2-methyltetratriacontane
CID 14275207

Frequently Asked Questions

What is the IUPAC name of tris(6-methylheptyl)phosphane?
The IUPAC name of tris(6-methylheptyl)phosphane (CID 14029657) is tris(6-methylheptyl)phosphane.
What is the SMILES notation for tris(6-methylheptyl)phosphane?
The canonical SMILES for tris(6-methylheptyl)phosphane is CC(C)CCCCCP(CCCCCC(C)C)CCCCCC(C)C.
What is the InChIKey of tris(6-methylheptyl)phosphane?
The InChIKey is IOCOMSQPEJHCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51P/c1-22(2)16-10-7-13-19-25(20-14-8-11-17-23(3)4)21-15-9-12-18-24(5)6/h22-24H,7-21H2,1-6H3.
What are the key properties of tris(6-methylheptyl)phosphane?
tris(6-methylheptyl)phosphane has a molecular weight of 370.65 g/mol, XLogP of 9.12, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(6-methylheptyl)phosphane is sourced from PubChem (CID 14029657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).