6-methyloctan-2-yl(triphenyl)phosphanium

C27H34P+ — CID 138474371

IUPAC6-methyloctan-2-yl(triphenyl)phosphanium
SMILESCCC(C)CCCC(C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H34P/c1-4-23(2)15-14-16-24(3)28(25-17-8-5-9-18-25,26-19-10-6-11-20-26)27-21-12-7-13-22-27/h5-13,17-24H,4,14-16H2,1-3H3/q+1
InChIKeyYUZLTPWBMVEFSS-UHFFFAOYSA-N
MW389.54 g/mol
LogP6.59
Rot. Bonds9

About 6-methyloctan-2-yl(triphenyl)phosphanium

6-methyloctan-2-yl(triphenyl)phosphanium (PubChem CID 138474371) has the molecular formula C27H34P+ and a molecular weight of 389.54 g/mol. Its IUPAC name is 6-methyloctan-2-yl(triphenyl)phosphanium.

Molecular Properties

Compound Name6-methyloctan-2-yl(triphenyl)phosphanium
PubChem CID138474371
Molecular FormulaC27H34P+
Molecular Weight389.54 g/mol
Exact Mass389.24
IUPAC Name6-methyloctan-2-yl(triphenyl)phosphanium
SMILESCCC(C)CCCC(C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H34P/c1-4-23(2)15-14-16-24(3)28(25-17-8-5-9-18-25,26-19-10-6-11-20-26)27-21-12-7-13-22-27/h5-13,17-24H,4,14-16H2,1-3H3/q+1
InChIKeyYUZLTPWBMVEFSS-UHFFFAOYSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Triphenylethylene
CID 6025
Phosphine, tris(4-methylphenyl)-
CID 13956
((1S,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl)diphenylphosphine oxide
CID 21678144
Butyltriphenylphosphonium bromide
CID 159628
Phosphonium, ethyltriphenyl-, bromide (1:1)
CID 73727
Triphenylmethane
CID 10614
Ethyltriphenylphosphonium iodide
CID 78474
Tri-o-tolylphosphine
CID 80271
Phosphine, tris(phenylmethyl)-
CID 82101
Diphenyl(phenylmethyl)phosphine oxide
CID 76293
Propyltriphenylphosphonium bromide
CID 80374
Benzhydryltriphenylphosphonium bromide
CID 522488

Frequently Asked Questions

What is the IUPAC name of 6-methyloctan-2-yl(triphenyl)phosphanium?
The IUPAC name of 6-methyloctan-2-yl(triphenyl)phosphanium (CID 138474371) is 6-methyloctan-2-yl(triphenyl)phosphanium.
What is the SMILES notation for 6-methyloctan-2-yl(triphenyl)phosphanium?
The canonical SMILES for 6-methyloctan-2-yl(triphenyl)phosphanium is CCC(C)CCCC(C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-methyloctan-2-yl(triphenyl)phosphanium?
The InChIKey is YUZLTPWBMVEFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34P/c1-4-23(2)15-14-16-24(3)28(25-17-8-5-9-18-25,26-19-10-6-11-20-26)27-21-12-7-13-22-27/h5-13,17-24H,4,14-16H2,1-3H3/q+1.
What are the key properties of 6-methyloctan-2-yl(triphenyl)phosphanium?
6-methyloctan-2-yl(triphenyl)phosphanium has a molecular weight of 389.54 g/mol, XLogP of 6.59, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyloctan-2-yl(triphenyl)phosphanium is sourced from PubChem (CID 138474371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).