6-bromo-3',3'-dimethylspiro[4H-1,3-benzodioxine-2,1'-cyclohexane]

C15H19BrO2 — CID 10710133

IUPAC6-bromo-3',3'-dimethylspiro[4H-1,3-benzodioxine-2,1'-cyclohexane]
SMILESCC1(C)CCCC2(C1)OCc1cc(Br)ccc1O2
InChIInChI=1S/C15H19BrO2/c1-14(2)6-3-7-15(10-14)17-9-11-8-12(16)4-5-13(11)18-15/h4-5,8H,3,6-7,9-10H2,1-2H3
InChIKeyQUSBCWPVCSRAPX-UHFFFAOYSA-N
MW311.22 g/mol
LogP4.65
Rot. Bonds

About 6-bromo-3',3'-dimethylspiro[4H-1,3-benzodioxine-2,1'-cyclohexane]

6-bromo-3',3'-dimethylspiro[4H-1,3-benzodioxine-2,1'-cyclohexane] (PubChem CID 10710133) has the molecular formula C15H19BrO2 and a molecular weight of 311.22 g/mol. Its IUPAC name is 6-bromo-3',3'-dimethylspiro[4H-1,3-benzodioxine-2,1'-cyclohexane].

Molecular Properties

Compound Name6-bromo-3',3'-dimethylspiro[4H-1,3-benzodioxine-2,1'-cyclohexane]
PubChem CID10710133
Molecular FormulaC15H19BrO2
Molecular Weight311.22 g/mol
Exact Mass310.06
IUPAC Name6-bromo-3',3'-dimethylspiro[4H-1,3-benzodioxine-2,1'-cyclohexane]
SMILESCC1(C)CCCC2(C1)OCc1cc(Br)ccc1O2
InChIInChI=1S/C15H19BrO2/c1-14(2)6-3-7-15(10-14)17-9-11-8-12(16)4-5-13(11)18-15/h4-5,8H,3,6-7,9-10H2,1-2H3
InChIKeyQUSBCWPVCSRAPX-UHFFFAOYSA-N
XLogP4.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-bromo-3',3'-dimethylspiro[4H-1,3-benzodioxine-2,1'-cyclohexane] with MolForge

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Related Compounds

2-(6-bromo-2-methyl-4H-1,3-benzodioxin-2-yl)acetic acid
CID 115062931
5-bromospiro[1,3-benzodioxole-2,1'-cyclohexane]
CID 15700682
7-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine]
CID 10850583
6-fluorospiro[4H-1,3-benzodioxine-2,4'-piperidine]
CID 11368068
6-bromo-3',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114710156
CID 164981926
CID 164981926
[acetyloxy(spiro[4H-1,3-benzodioxine-2,1'-cyclopentane]-6-yl)silyl] acetate
CID 164815734
(3aR,7S,7aR)-6'-bromospiro[4,5,6,7a-tetrahydro-3aH-1,3-benzodioxole-7,2'-4H-1,3-benzodioxine]-2-one
CID 10688564
6-chlorospiro[4H-1,3-benzodioxine-2,4'-piperidine]
CID 115062790
1-(6-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)-2-(4-methoxyphenyl)ethanone
CID 126473582
6-bromospiro[1,3-benzodioxine-2,1'-cyclohexane]-4-one
CID 172559859
(4S)-6-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 104947142

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3',3'-dimethylspiro[4H-1,3-benzodioxine-2,1'-cyclohexane]?
The IUPAC name of 6-bromo-3',3'-dimethylspiro[4H-1,3-benzodioxine-2,1'-cyclohexane] (CID 10710133) is 6-bromo-3',3'-dimethylspiro[4H-1,3-benzodioxine-2,1'-cyclohexane].
What is the SMILES notation for 6-bromo-3',3'-dimethylspiro[4H-1,3-benzodioxine-2,1'-cyclohexane]?
The canonical SMILES for 6-bromo-3',3'-dimethylspiro[4H-1,3-benzodioxine-2,1'-cyclohexane] is CC1(C)CCCC2(C1)OCc1cc(Br)ccc1O2.
What is the InChIKey of 6-bromo-3',3'-dimethylspiro[4H-1,3-benzodioxine-2,1'-cyclohexane]?
The InChIKey is QUSBCWPVCSRAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrO2/c1-14(2)6-3-7-15(10-14)17-9-11-8-12(16)4-5-13(11)18-15/h4-5,8H,3,6-7,9-10H2,1-2H3.
What are the key properties of 6-bromo-3',3'-dimethylspiro[4H-1,3-benzodioxine-2,1'-cyclohexane]?
6-bromo-3',3'-dimethylspiro[4H-1,3-benzodioxine-2,1'-cyclohexane] has a molecular weight of 311.22 g/mol, XLogP of 4.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3',3'-dimethylspiro[4H-1,3-benzodioxine-2,1'-cyclohexane] is sourced from PubChem (CID 10710133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).