[3-[(2E,4E)-5-ethyl-6,6-dimethylhepta-2,4-dien-2-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-trimethylphosphanium

C28H46P+ — CID 129231879

IUPAC[3-[(2E,4E)-5-ethyl-6,6-dimethylhepta-2,4-dien-2-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-trimethylphosphanium
SMILESCC/C(=C\C=C(/C)c1cc2c(cc1[P+](C)(C)C)C(C)(C)CCC2(C)C)C(C)(C)C
InChIInChI=1S/C28H46P/c1-13-21(26(3,4)5)15-14-20(2)22-18-23-24(19-25(22)29(10,11)12)28(8,9)17-16-27(23,6)7/h14-15,18-19H,13,16-17H2,1-12H3/q+1/b20-14+,21-15+
InChIKeyDNIZZSNOFIJTKF-OZNQKUEASA-N
MW413.65 g/mol
LogP8.35
Rot. Bonds4

About [3-[(2E,4E)-5-ethyl-6,6-dimethylhepta-2,4-dien-2-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-trimethylphosphanium

[3-[(2E,4E)-5-ethyl-6,6-dimethylhepta-2,4-dien-2-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-trimethylphosphanium (PubChem CID 129231879) has the molecular formula C28H46P+ and a molecular weight of 413.65 g/mol. Its IUPAC name is [3-[(2E,4E)-5-ethyl-6,6-dimethylhepta-2,4-dien-2-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-trimethylphosphanium.

Molecular Properties

Compound Name[3-[(2E,4E)-5-ethyl-6,6-dimethylhepta-2,4-dien-2-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-trimethylphosphanium
PubChem CID129231879
Molecular FormulaC28H46P+
Molecular Weight413.65 g/mol
Exact Mass413.33
IUPAC Name[3-[(2E,4E)-5-ethyl-6,6-dimethylhepta-2,4-dien-2-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-trimethylphosphanium
SMILESCC/C(=C\C=C(/C)c1cc2c(cc1[P+](C)(C)C)C(C)(C)CCC2(C)C)C(C)(C)C
InChIInChI=1S/C28H46P/c1-13-21(26(3,4)5)15-14-20(2)22-18-23-24(19-25(22)29(10,11)12)28(8,9)17-16-27(23,6)7/h14-15,18-19H,13,16-17H2,1-12H3/q+1/b20-14+,21-15+
InChIKeyDNIZZSNOFIJTKF-OZNQKUEASA-N
XLogP8.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.65
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [3-[(2E,4E)-5-ethyl-6,6-dimethylhepta-2,4-dien-2-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-trimethylphosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[(2E,4E)-5-ethyl-6,6-dimethylhepta-2,4-dien-2-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-trimethylphosphanium?
The IUPAC name of [3-[(2E,4E)-5-ethyl-6,6-dimethylhepta-2,4-dien-2-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-trimethylphosphanium (CID 129231879) is [3-[(2E,4E)-5-ethyl-6,6-dimethylhepta-2,4-dien-2-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-trimethylphosphanium.
What is the SMILES notation for [3-[(2E,4E)-5-ethyl-6,6-dimethylhepta-2,4-dien-2-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-trimethylphosphanium?
The canonical SMILES for [3-[(2E,4E)-5-ethyl-6,6-dimethylhepta-2,4-dien-2-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-trimethylphosphanium is CC/C(=C\C=C(/C)c1cc2c(cc1[P+](C)(C)C)C(C)(C)CCC2(C)C)C(C)(C)C.
What is the InChIKey of [3-[(2E,4E)-5-ethyl-6,6-dimethylhepta-2,4-dien-2-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-trimethylphosphanium?
The InChIKey is DNIZZSNOFIJTKF-OZNQKUEASA-N. The full InChI is InChI=1S/C28H46P/c1-13-21(26(3,4)5)15-14-20(2)22-18-23-24(19-25(22)29(10,11)12)28(8,9)17-16-27(23,6)7/h14-15,18-19H,13,16-17H2,1-12H3/q+1/b20-14+,21-15+.
What are the key properties of [3-[(2E,4E)-5-ethyl-6,6-dimethylhepta-2,4-dien-2-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-trimethylphosphanium?
[3-[(2E,4E)-5-ethyl-6,6-dimethylhepta-2,4-dien-2-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-trimethylphosphanium has a molecular weight of 413.65 g/mol, XLogP of 8.35, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2E,4E)-5-ethyl-6,6-dimethylhepta-2,4-dien-2-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-trimethylphosphanium is sourced from PubChem (CID 129231879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).