dimethyl-[2-[methyl-[6-(4-methylphenyl)hexyl]phosphanyl]ethyl]phosphane

C18H32P2 — CID 21044068

IUPACdimethyl-[2-[methyl-[6-(4-methylphenyl)hexyl]phosphanyl]ethyl]phosphane
SMILESCc1ccc(CCCCCCP(C)CCP(C)C)cc1
InChIInChI=1S/C18H32P2/c1-17-10-12-18(13-11-17)9-7-5-6-8-14-20(4)16-15-19(2)3/h10-13H,5-9,14-16H2,1-4H3
InChIKeyLIGUXAQJWFESQL-UHFFFAOYSA-N
MW310.40 g/mol
LogP5.95
Rot. Bonds10

About dimethyl-[2-[methyl-[6-(4-methylphenyl)hexyl]phosphanyl]ethyl]phosphane

dimethyl-[2-[methyl-[6-(4-methylphenyl)hexyl]phosphanyl]ethyl]phosphane (PubChem CID 21044068) has the molecular formula C18H32P2 and a molecular weight of 310.40 g/mol. Its IUPAC name is dimethyl-[2-[methyl-[6-(4-methylphenyl)hexyl]phosphanyl]ethyl]phosphane.

Molecular Properties

Compound Namedimethyl-[2-[methyl-[6-(4-methylphenyl)hexyl]phosphanyl]ethyl]phosphane
PubChem CID21044068
Molecular FormulaC18H32P2
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Namedimethyl-[2-[methyl-[6-(4-methylphenyl)hexyl]phosphanyl]ethyl]phosphane
SMILESCc1ccc(CCCCCCP(C)CCP(C)C)cc1
InChIInChI=1S/C18H32P2/c1-17-10-12-18(13-11-17)9-7-5-6-8-14-20(4)16-15-19(2)3/h10-13H,5-9,14-16H2,1-4H3
InChIKeyLIGUXAQJWFESQL-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.40
LogP ≤ 55.95
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

1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene
CID 4174966
4-(4-hexylphenyl)butyl-dimethylphosphane
CID 142018377
1-methyl-4-octylbenzene
CID 11052746
dimethyl(7-phenylheptyl)phosphane;hydrochloride
CID 173157497
dimethyl(4-phenylbutyl)phosphane
CID 67540805
1-(5-fluoropentyl)-4-methylbenzene
CID 172812127
1-methyl-4-[9-[9-(4-methylphenyl)nonoxy]nonyl]benzene
CID 141394605
1-(6-chlorohexyl)-4-methylbenzene;ethane
CID 144525982
CID 70388398
CID 70388398
2-[5-(4-methylphenyl)pentoxy]ethanol
CID 57171652
N,N-dimethyl-5-(4-methylphenyl)pentan-1-amine;hydrate
CID 173447958
1-hexyl-4-methylbenzene;toluene
CID 173071388

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-[methyl-[6-(4-methylphenyl)hexyl]phosphanyl]ethyl]phosphane?
The IUPAC name of dimethyl-[2-[methyl-[6-(4-methylphenyl)hexyl]phosphanyl]ethyl]phosphane (CID 21044068) is dimethyl-[2-[methyl-[6-(4-methylphenyl)hexyl]phosphanyl]ethyl]phosphane.
What is the SMILES notation for dimethyl-[2-[methyl-[6-(4-methylphenyl)hexyl]phosphanyl]ethyl]phosphane?
The canonical SMILES for dimethyl-[2-[methyl-[6-(4-methylphenyl)hexyl]phosphanyl]ethyl]phosphane is Cc1ccc(CCCCCCP(C)CCP(C)C)cc1.
What is the InChIKey of dimethyl-[2-[methyl-[6-(4-methylphenyl)hexyl]phosphanyl]ethyl]phosphane?
The InChIKey is LIGUXAQJWFESQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32P2/c1-17-10-12-18(13-11-17)9-7-5-6-8-14-20(4)16-15-19(2)3/h10-13H,5-9,14-16H2,1-4H3.
What are the key properties of dimethyl-[2-[methyl-[6-(4-methylphenyl)hexyl]phosphanyl]ethyl]phosphane?
dimethyl-[2-[methyl-[6-(4-methylphenyl)hexyl]phosphanyl]ethyl]phosphane has a molecular weight of 310.40 g/mol, XLogP of 5.95, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-[methyl-[6-(4-methylphenyl)hexyl]phosphanyl]ethyl]phosphane is sourced from PubChem (CID 21044068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).