6'-bromospiro[1,3-dioxolane-2,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene]

C17H11BrO2 — CID 629870

IUPAC6'-bromospiro[1,3-dioxolane-2,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene]
SMILESBrc1cc2cccc3c2c2c(cccc12)C31OCCO1
InChIInChI=1S/C17H11BrO2/c18-14-9-10-3-1-5-12-15(10)16-11(14)4-2-6-13(16)17(12)19-7-8-20-17/h1-6,9H,7-8H2
InChIKeyNKLSKHPDOHFLCU-UHFFFAOYSA-N
MW327.18 g/mol
LogP4.32
Rot. Bonds

About 6'-bromospiro[1,3-dioxolane-2,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene]

6'-bromospiro[1,3-dioxolane-2,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene] (PubChem CID 629870) has the molecular formula C17H11BrO2 and a molecular weight of 327.18 g/mol. Its IUPAC name is 6'-bromospiro[1,3-dioxolane-2,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene].

Molecular Properties

Compound Name6'-bromospiro[1,3-dioxolane-2,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene]
PubChem CID629870
Molecular FormulaC17H11BrO2
Molecular Weight327.18 g/mol
Exact Mass325.99
IUPAC Name6'-bromospiro[1,3-dioxolane-2,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene]
SMILESBrc1cc2cccc3c2c2c(cccc12)C31OCCO1
InChIInChI=1S/C17H11BrO2/c18-14-9-10-3-1-5-12-15(10)16-11(14)4-2-6-13(16)17(12)19-7-8-20-17/h1-6,9H,7-8H2
InChIKeyNKLSKHPDOHFLCU-UHFFFAOYSA-N
XLogP4.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6'-bromospiro[1,3-dioxolane-2,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene] with MolForge

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Related Compounds

2-(7-Bromo-9,9-difluorofluoren-2-yl)-2-methyl-1,3-dioxolane
CID 145082420
2-(7-Bromo-9,9-difluorofluoren-2-yl)-1,3-dioxolane
CID 171758092
2-(1-Bromonaphthalen-2-yl)-1,3-dioxolane
CID 10660291
2',7'-Dibromospiro[1,3-dioxolane-2,9'-fluorene]
CID 69294899
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
(11R)-2,3-dibromospiro[benzo[a]fluorene-11,2'-oxolane]
CID 162399117
Spiro[(5-bromoacenaphthen-1-ol)-2,2'-(5',5'-dimethyl-1',3'-dioxane)]
CID 621568
Spiro[(6-bromo-1-hydroxyacenaphthene)-2,2'-(5',5'-dimethyl-1',3'-dioxane)]
CID 621569
1,4-Dioxan-2-spiro-1'-5-bromoroacenaphthen-2'-spiro-2''-1'',4''-dioxane
CID 6425628
2-(6-Bromonaphthalen-2-yl)-2-methyl-1,3-dioxolane
CID 13687908
2-(1-Bromonaphthalen-2-yl)-2-methyl-1,3-dioxolane
CID 23014636

Frequently Asked Questions

What is the IUPAC name of 6'-bromospiro[1,3-dioxolane-2,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene]?
The IUPAC name of 6'-bromospiro[1,3-dioxolane-2,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene] (CID 629870) is 6'-bromospiro[1,3-dioxolane-2,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene].
What is the SMILES notation for 6'-bromospiro[1,3-dioxolane-2,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene]?
The canonical SMILES for 6'-bromospiro[1,3-dioxolane-2,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene] is Brc1cc2cccc3c2c2c(cccc12)C31OCCO1.
What is the InChIKey of 6'-bromospiro[1,3-dioxolane-2,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene]?
The InChIKey is NKLSKHPDOHFLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrO2/c18-14-9-10-3-1-5-12-15(10)16-11(14)4-2-6-13(16)17(12)19-7-8-20-17/h1-6,9H,7-8H2.
What are the key properties of 6'-bromospiro[1,3-dioxolane-2,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene]?
6'-bromospiro[1,3-dioxolane-2,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene] has a molecular weight of 327.18 g/mol, XLogP of 4.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-bromospiro[1,3-dioxolane-2,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene] is sourced from PubChem (CID 629870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).