hexyl-propyl-(2,3,4-trimethylphenyl)phosphane

C18H31P — CID 90109576

IUPAChexyl-propyl-(2,3,4-trimethylphenyl)phosphane
SMILESCCCCCCP(CCC)c1ccc(C)c(C)c1C
InChIInChI=1S/C18H31P/c1-6-8-9-10-14-19(13-7-2)18-12-11-15(3)16(4)17(18)5/h11-12H,6-10,13-14H2,1-5H3
InChIKeyBPBOGSFUNZITJM-UHFFFAOYSA-N
MW278.42 g/mol
LogP5.71
Rot. Bonds8

About hexyl-propyl-(2,3,4-trimethylphenyl)phosphane

hexyl-propyl-(2,3,4-trimethylphenyl)phosphane (PubChem CID 90109576) has the molecular formula C18H31P and a molecular weight of 278.42 g/mol. Its IUPAC name is hexyl-propyl-(2,3,4-trimethylphenyl)phosphane.

Molecular Properties

Compound Namehexyl-propyl-(2,3,4-trimethylphenyl)phosphane
PubChem CID90109576
Molecular FormulaC18H31P
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC Namehexyl-propyl-(2,3,4-trimethylphenyl)phosphane
SMILESCCCCCCP(CCC)c1ccc(C)c(C)c1C
InChIInChI=1S/C18H31P/c1-6-8-9-10-14-19(13-7-2)18-12-11-15(3)16(4)17(18)5/h11-12H,6-10,13-14H2,1-5H3
InChIKeyBPBOGSFUNZITJM-UHFFFAOYSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.42
LogP ≤ 55.71
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

(2,3-dimethylphenyl)-dipentylphosphane
CID 90112101
(2,3-dimethylphenyl)-pentyl-(2,3,4-trimethylphenyl)phosphane
CID 90110620
(2-methylphenyl)-dioctylphosphane
CID 70128590
1-bis(2,3,4-trimethylphenyl)phosphanyloctyl-bis(2,3,4-trimethylphenyl)phosphane
CID 90110960
bis(2,3-dimethylphenyl)-octylphosphane
CID 161297882
cyclohexyl-propyl-(2,3,4-trimethylphenyl)phosphane
CID 90108684
[2-(2-dipentylphosphanylphenyl)phenyl]-dipentylphosphane
CID 87309662
bis(2,3,4-trimethylphenyl)phosphinous acid
CID 175402042
1,2,3-trimethyl-4-oct-1-enylbenzene
CID 173045984
hexane;1,2,3-trimethylbenzene
CID 159405289
dimethyl-(2,3,4-trimethylphenyl)phosphane
CID 90111171
hexyl-(2,3,4-trimethylphenyl)phosphane
CID 90109528

Frequently Asked Questions

What is the IUPAC name of hexyl-propyl-(2,3,4-trimethylphenyl)phosphane?
The IUPAC name of hexyl-propyl-(2,3,4-trimethylphenyl)phosphane (CID 90109576) is hexyl-propyl-(2,3,4-trimethylphenyl)phosphane.
What is the SMILES notation for hexyl-propyl-(2,3,4-trimethylphenyl)phosphane?
The canonical SMILES for hexyl-propyl-(2,3,4-trimethylphenyl)phosphane is CCCCCCP(CCC)c1ccc(C)c(C)c1C.
What is the InChIKey of hexyl-propyl-(2,3,4-trimethylphenyl)phosphane?
The InChIKey is BPBOGSFUNZITJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31P/c1-6-8-9-10-14-19(13-7-2)18-12-11-15(3)16(4)17(18)5/h11-12H,6-10,13-14H2,1-5H3.
What are the key properties of hexyl-propyl-(2,3,4-trimethylphenyl)phosphane?
hexyl-propyl-(2,3,4-trimethylphenyl)phosphane has a molecular weight of 278.42 g/mol, XLogP of 5.71, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl-propyl-(2,3,4-trimethylphenyl)phosphane is sourced from PubChem (CID 90109576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).