tris(7-methyloctyl)phosphane

C27H57P — CID 141083422

IUPACtris(7-methyloctyl)phosphane
SMILESCC(C)CCCCCCP(CCCCCCC(C)C)CCCCCCC(C)C
InChIInChI=1S/C27H57P/c1-25(2)19-13-7-10-16-22-28(23-17-11-8-14-20-26(3)4)24-18-12-9-15-21-27(5)6/h25-27H,7-24H2,1-6H3
InChIKeyJOCMCZXBIZDKFW-UHFFFAOYSA-N
MW412.73 g/mol
LogP10.29
Rot. Bonds21

About tris(7-methyloctyl)phosphane

tris(7-methyloctyl)phosphane (PubChem CID 141083422) has the molecular formula C27H57P and a molecular weight of 412.73 g/mol. Its IUPAC name is tris(7-methyloctyl)phosphane.

Molecular Properties

Compound Nametris(7-methyloctyl)phosphane
PubChem CID141083422
Molecular FormulaC27H57P
Molecular Weight412.73 g/mol
Exact Mass412.42
IUPAC Nametris(7-methyloctyl)phosphane
SMILESCC(C)CCCCCCP(CCCCCCC(C)C)CCCCCCC(C)C
InChIInChI=1S/C27H57P/c1-25(2)19-13-7-10-16-22-28(23-17-11-8-14-20-26(3)4)24-18-12-9-15-21-27(5)6/h25-27H,7-24H2,1-6H3
InChIKeyJOCMCZXBIZDKFW-UHFFFAOYSA-N
XLogP10.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.73
LogP ≤ 510.29
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(6-methylheptyl)phosphane
CID 14029657
2,22-dimethyltricosane
CID 58100191
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
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-methyloctacosane
CID 519147
2-methylpentaoctacontane
CID 90745672
2-methyldecane
CID 23415

Frequently Asked Questions

What is the IUPAC name of tris(7-methyloctyl)phosphane?
The IUPAC name of tris(7-methyloctyl)phosphane (CID 141083422) is tris(7-methyloctyl)phosphane.
What is the SMILES notation for tris(7-methyloctyl)phosphane?
The canonical SMILES for tris(7-methyloctyl)phosphane is CC(C)CCCCCCP(CCCCCCC(C)C)CCCCCCC(C)C.
What is the InChIKey of tris(7-methyloctyl)phosphane?
The InChIKey is JOCMCZXBIZDKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H57P/c1-25(2)19-13-7-10-16-22-28(23-17-11-8-14-20-26(3)4)24-18-12-9-15-21-27(5)6/h25-27H,7-24H2,1-6H3.
What are the key properties of tris(7-methyloctyl)phosphane?
tris(7-methyloctyl)phosphane has a molecular weight of 412.73 g/mol, XLogP of 10.29, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(7-methyloctyl)phosphane is sourced from PubChem (CID 141083422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).