3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)but-2-enylphosphanium bromide

C18H28BrP — CID 67764044

IUPAC3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)but-2-enylphosphanium bromide
SMILESCC(=CC[PH3+])c1ccc2c(c1)C(C)(C)CCC2(C)C.[Br-]
InChIInChI=1S/C18H27P.BrH/c1-13(8-11-19)14-6-7-15-16(12-14)18(4,5)10-9-17(15,2)3;/h6-8,12H,9-11,19H2,1-5H3;1H
InChIKeyPHAJWJOYLSMAQO-UHFFFAOYSA-N
MW355.30 g/mol
LogP2.05
Rot. Bonds2

About 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)but-2-enylphosphanium bromide

3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)but-2-enylphosphanium bromide (PubChem CID 67764044) has the molecular formula C18H28BrP and a molecular weight of 355.30 g/mol. Its IUPAC name is 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)but-2-enylphosphanium bromide.

Molecular Properties

Compound Name3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)but-2-enylphosphanium bromide
PubChem CID67764044
Molecular FormulaC18H28BrP
Molecular Weight355.30 g/mol
Exact Mass354.11
IUPAC Name3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)but-2-enylphosphanium bromide
SMILESCC(=CC[PH3+])c1ccc2c(c1)C(C)(C)CCC2(C)C.[Br-]
InChIInChI=1S/C18H27P.BrH/c1-13(8-11-19)14-6-7-15-16(12-14)18(4,5)10-9-17(15,2)3;/h6-8,12H,9-11,19H2,1-5H3;1H
InChIKeyPHAJWJOYLSMAQO-UHFFFAOYSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 52.05
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

3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)but-2-enylphosphane;hydrobromide
CID 173337353
6-[(2E)-5-cyclohexylhexa-2,5-dien-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 143916789
6-[(E)-1-(3,5-dimethylphenyl)prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 14425598
4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzenethiol
CID 54087498
1,1,4,4-tetramethyl-6-[(Z)-1-(4-phenylphenyl)prop-1-en-2-yl]-2,3-dihydronaphthalene
CID 18990095
(2E,4E,6Z)-4-methyl-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)octa-2,4,6-trienoic acid
CID 88701368
4-methyl-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)octa-2,4,6-trienamide
CID 88701800
1,1,4,4-tetramethyl-6-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]-2,3-dihydronaphthalene
CID 14425582
6-[(E)-1-(4-ethylsulfonylphenyl)prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 6435463
6-[1-(benzenesulfonyl)prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 154297646
4-[(Z)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzenesulfonic acid
CID 6439761
[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]phosphonic acid
CID 14371698

Frequently Asked Questions

What is the IUPAC name of 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)but-2-enylphosphanium bromide?
The IUPAC name of 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)but-2-enylphosphanium bromide (CID 67764044) is 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)but-2-enylphosphanium bromide.
What is the SMILES notation for 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)but-2-enylphosphanium bromide?
The canonical SMILES for 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)but-2-enylphosphanium bromide is CC(=CC[PH3+])c1ccc2c(c1)C(C)(C)CCC2(C)C.[Br-].
What is the InChIKey of 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)but-2-enylphosphanium bromide?
The InChIKey is PHAJWJOYLSMAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27P.BrH/c1-13(8-11-19)14-6-7-15-16(12-14)18(4,5)10-9-17(15,2)3;/h6-8,12H,9-11,19H2,1-5H3;1H.
What are the key properties of 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)but-2-enylphosphanium bromide?
3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)but-2-enylphosphanium bromide has a molecular weight of 355.30 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)but-2-enylphosphanium bromide is sourced from PubChem (CID 67764044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).