2-(6-bromo-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-1,3-dioxolane

C19H19BrO2 — CID 102134728

IUPAC2-(6-bromo-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-1,3-dioxolane
SMILESBrc1c2ccc(c1C1OCCO1)CCc1ccc(cc1)CC2
InChIInChI=1S/C19H19BrO2/c20-18-16-8-6-14-3-1-13(2-4-14)5-7-15(9-10-16)17(18)19-21-11-12-22-19/h1-4,9-10,19H,5-8,11-12H2
InChIKeyHPHIRCTYXGPTCW-UHFFFAOYSA-N
MW359.26 g/mol
LogP4.38
Rot. Bonds1

About 2-(6-bromo-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-1,3-dioxolane

2-(6-bromo-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-1,3-dioxolane (PubChem CID 102134728) has the molecular formula C19H19BrO2 and a molecular weight of 359.26 g/mol. Its IUPAC name is 2-(6-bromo-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(6-bromo-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-1,3-dioxolane
PubChem CID102134728
Molecular FormulaC19H19BrO2
Molecular Weight359.26 g/mol
Exact Mass358.06
IUPAC Name2-(6-bromo-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-1,3-dioxolane
SMILESBrc1c2ccc(c1C1OCCO1)CCc1ccc(cc1)CC2
InChIInChI=1S/C19H19BrO2/c20-18-16-8-6-14-3-1-13(2-4-14)5-7-15(9-10-16)17(18)19-21-11-12-22-19/h1-4,9-10,19H,5-8,11-12H2
InChIKeyHPHIRCTYXGPTCW-UHFFFAOYSA-N
XLogP4.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(6-bromo-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-1,3-dioxolane with MolForge

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Related Compounds

2-(3-Bromophenyl)-1,3-dioxolane
CID 87306
2-(2-Bromophenyl)-1,3-dioxolane
CID 553534
2-[(Z)-2-(2-bromophenyl)ethenyl]-2-phenyl-1,3-dioxolane
CID 54611351
(Z)-2-(4-(2-bromostyryl)-2,3-difluorophenyl)-1,3-dioxolane
CID 167713790
(Z)-2-(4-(2-bromo-5-fluorostyryl)-2,3-difluorophenyl)-1,3-dioxolane
CID 167713793
(Z)-2-(4-(2-bromo-5-methylstyryl)-2,3-difluorophenyl)-1,3-dioxolane
CID 167713794
(Z)-2-(4-(2-bromo-4-fluorostyryl)-2,3-difluorophenyl)-1,3-dioxolane
CID 167713795
2-(3-Bromophenyl)-2-phenyl-1,3-dioxolane
CID 10709691
1,3-Dioxolane, 2-(3-bromo-4-methylphenyl)-
CID 11241979
9'-Bromospiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]
CID 15551082
2-(2-Bromo-5-(tert-butyl)phenyl)-1,3-dioxolane
CID 23016156
2-[4-(6-bromo-1H-inden-2-yl)-3-fluorophenyl]-1,3-dioxane
CID 67575726

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-1,3-dioxolane?
The IUPAC name of 2-(6-bromo-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-1,3-dioxolane (CID 102134728) is 2-(6-bromo-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(6-bromo-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-1,3-dioxolane?
The canonical SMILES for 2-(6-bromo-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-1,3-dioxolane is Brc1c2ccc(c1C1OCCO1)CCc1ccc(cc1)CC2.
What is the InChIKey of 2-(6-bromo-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-1,3-dioxolane?
The InChIKey is HPHIRCTYXGPTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrO2/c20-18-16-8-6-14-3-1-13(2-4-14)5-7-15(9-10-16)17(18)19-21-11-12-22-19/h1-4,9-10,19H,5-8,11-12H2.
What are the key properties of 2-(6-bromo-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-1,3-dioxolane?
2-(6-bromo-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-1,3-dioxolane has a molecular weight of 359.26 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-1,3-dioxolane is sourced from PubChem (CID 102134728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).