2-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolane

C17H23BrO2 — CID 23498935

IUPAC2-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolane
SMILESCC1(C)CCC(C)(C)c2cc(C3OCCO3)c(Br)cc21
InChIInChI=1S/C17H23BrO2/c1-16(2)5-6-17(3,4)13-10-14(18)11(9-12(13)16)15-19-7-8-20-15/h9-10,15H,5-8H2,1-4H3
InChIKeyHTJCUGYRCCLCJV-UHFFFAOYSA-N
MW339.27 g/mol
LogP4.84
Rot. Bonds1

About 2-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolane

2-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolane (PubChem CID 23498935) has the molecular formula C17H23BrO2 and a molecular weight of 339.27 g/mol. Its IUPAC name is 2-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolane
PubChem CID23498935
Molecular FormulaC17H23BrO2
Molecular Weight339.27 g/mol
Exact Mass338.09
IUPAC Name2-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolane
SMILESCC1(C)CCC(C)(C)c2cc(C3OCCO3)c(Br)cc21
InChIInChI=1S/C17H23BrO2/c1-16(2)5-6-17(3,4)13-10-14(18)11(9-12(13)16)15-19-7-8-20-15/h9-10,15H,5-8H2,1-4H3
InChIKeyHTJCUGYRCCLCJV-UHFFFAOYSA-N
XLogP4.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolane with MolForge

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Related Compounds

(Z)-2-(4-(2-bromo-5-methylstyryl)-2,3-difluorophenyl)-1,3-dioxolane
CID 167713794
2-(2-Bromo-5-(tert-butyl)phenyl)-1,3-dioxolane
CID 23016156
2-[3-Bromo-5-[1-(fluoromethyl)cyclobutyl]phenyl]-1,3-dioxolane
CID 89957384
4-[3-Bromo-5-(1,3-dioxolan-2-yl)phenyl]-4-(difluoromethyl)oxane
CID 89957393
4-[3-Bromo-5-(1,3-dioxolan-2-yl)phenyl]-4-(fluoromethyl)oxane
CID 89957418
2-[3-Bromo-5-(1-fluoro-2-methylpropan-2-yl)phenyl]-1,3-dioxolane
CID 89957513
2-[3-Bromo-6-fluoro-2,4-di(propan-2-yl)phenyl]-1,3-dioxolane
CID 146570495
2-(1-Bromonaphthalen-2-yl)-1,3-dioxolane
CID 10660291
1-Bromo-2,5-dioctyl-4-(5,5-dimethyl-1,3-dioxan-2-yl)benzene
CID 129721213
2-(9-Bromophenanthren-3-yl)-2-methyl-1,3-dioxolane
CID 134842225
(2S)-2-(6-bromonaphthalen-2-yl)-4,4-dimethyl-1,3-dioxolane
CID 134947606
2-[4-Bromo-2,6-bis(2,4,6-trimethylphenyl)phenyl]-1,3-dioxolane
CID 139040432

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolane?
The IUPAC name of 2-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolane (CID 23498935) is 2-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolane.
What is the SMILES notation for 2-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolane?
The canonical SMILES for 2-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolane is CC1(C)CCC(C)(C)c2cc(C3OCCO3)c(Br)cc21.
What is the InChIKey of 2-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolane?
The InChIKey is HTJCUGYRCCLCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrO2/c1-16(2)5-6-17(3,4)13-10-14(18)11(9-12(13)16)15-19-7-8-20-15/h9-10,15H,5-8H2,1-4H3.
What are the key properties of 2-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolane?
2-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolane has a molecular weight of 339.27 g/mol, XLogP of 4.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolane is sourced from PubChem (CID 23498935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).