butyl-(2,3-dimethylphenyl)-(2,3,4-tributylphenyl)phosphane

C30H47P — CID 90108443

IUPACbutyl-(2,3-dimethylphenyl)-(2,3,4-tributylphenyl)phosphane
SMILESCCCCc1ccc(P(CCCC)c2cccc(C)c2C)c(CCCC)c1CCCC
InChIInChI=1S/C30H47P/c1-7-11-17-26-21-22-30(28(19-13-9-3)27(26)18-12-8-2)31(23-14-10-4)29-20-15-16-24(5)25(29)6/h15-16,20-22H,7-14,17-19,23H2,1-6H3
InChIKeyLLNXRSFOLAHWKL-UHFFFAOYSA-N
MW438.68 g/mol
LogP8.56
Rot. Bonds14

About butyl-(2,3-dimethylphenyl)-(2,3,4-tributylphenyl)phosphane

butyl-(2,3-dimethylphenyl)-(2,3,4-tributylphenyl)phosphane (PubChem CID 90108443) has the molecular formula C30H47P and a molecular weight of 438.68 g/mol. Its IUPAC name is butyl-(2,3-dimethylphenyl)-(2,3,4-tributylphenyl)phosphane.

Molecular Properties

Compound Namebutyl-(2,3-dimethylphenyl)-(2,3,4-tributylphenyl)phosphane
PubChem CID90108443
Molecular FormulaC30H47P
Molecular Weight438.68 g/mol
Exact Mass438.34
IUPAC Namebutyl-(2,3-dimethylphenyl)-(2,3,4-tributylphenyl)phosphane
SMILESCCCCc1ccc(P(CCCC)c2cccc(C)c2C)c(CCCC)c1CCCC
InChIInChI=1S/C30H47P/c1-7-11-17-26-21-22-30(28(19-13-9-3)27(26)18-12-8-2)31(23-14-10-4)29-20-15-16-24(5)25(29)6/h15-16,20-22H,7-14,17-19,23H2,1-6H3
InChIKeyLLNXRSFOLAHWKL-UHFFFAOYSA-N
XLogP8.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.68
LogP ≤ 58.56
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

(2-methylphenyl)-propyl-(2,3,4-tributylphenyl)phosphane
CID 90108297
bis(2,3-dimethylphenyl)-octylphosphane
CID 161297882
bis(2,3-dibutylphenyl)-hexylphosphane
CID 158747686
(2,3-dimethylphenyl)-pentyl-(2,3,4-trimethylphenyl)phosphane
CID 90110620
bis(2,3-dimethylphenyl)-(2,3,4-tripropylphenyl)phosphane
CID 90108140
butyl-ethyl-(2,3,4-tributylphenyl)phosphane
CID 90109710
1,2,3,4-tetrabutylbenzene
CID 11220391
(2,3-dimethylphenyl)-dipentylphosphane
CID 90112101
1,2-dibutyl-3-(2,3-dimethylphenyl)benzene
CID 174967419
1,2,3-tributylbenzene;hydrate
CID 172716323
1,1-bis[bis(2,3-dibutylphenyl)phosphanyl]butyl-bis(2,3-dibutylphenyl)phosphane
CID 90107998
(2,3-dibutylphenyl)phosphane
CID 19901991

Frequently Asked Questions

What is the IUPAC name of butyl-(2,3-dimethylphenyl)-(2,3,4-tributylphenyl)phosphane?
The IUPAC name of butyl-(2,3-dimethylphenyl)-(2,3,4-tributylphenyl)phosphane (CID 90108443) is butyl-(2,3-dimethylphenyl)-(2,3,4-tributylphenyl)phosphane.
What is the SMILES notation for butyl-(2,3-dimethylphenyl)-(2,3,4-tributylphenyl)phosphane?
The canonical SMILES for butyl-(2,3-dimethylphenyl)-(2,3,4-tributylphenyl)phosphane is CCCCc1ccc(P(CCCC)c2cccc(C)c2C)c(CCCC)c1CCCC.
What is the InChIKey of butyl-(2,3-dimethylphenyl)-(2,3,4-tributylphenyl)phosphane?
The InChIKey is LLNXRSFOLAHWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H47P/c1-7-11-17-26-21-22-30(28(19-13-9-3)27(26)18-12-8-2)31(23-14-10-4)29-20-15-16-24(5)25(29)6/h15-16,20-22H,7-14,17-19,23H2,1-6H3.
What are the key properties of butyl-(2,3-dimethylphenyl)-(2,3,4-tributylphenyl)phosphane?
butyl-(2,3-dimethylphenyl)-(2,3,4-tributylphenyl)phosphane has a molecular weight of 438.68 g/mol, XLogP of 8.56, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(2,3-dimethylphenyl)-(2,3,4-tributylphenyl)phosphane is sourced from PubChem (CID 90108443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).