bromomethane;4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]

C14H19BrO2 — CID 91179603

IUPACbromomethane;4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
SMILESCBr.Cc1ccc(C)c2c1CCC21OCCO1
InChIInChI=1S/C13H16O2.CH3Br/c1-9-3-4-10(2)12-11(9)5-6-13(12)14-7-8-15-13;1-2/h3-4H,5-8H2,1-2H3;1H3
InChIKeyULLMHGSIBSTYPU-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.46
Rot. Bonds

About bromomethane;4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]

bromomethane;4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane] (PubChem CID 91179603) has the molecular formula C14H19BrO2 and a molecular weight of 299.21 g/mol. Its IUPAC name is bromomethane;4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane].

Molecular Properties

Compound Namebromomethane;4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
PubChem CID91179603
Molecular FormulaC14H19BrO2
Molecular Weight299.21 g/mol
Exact Mass298.06
IUPAC Namebromomethane;4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
SMILESCBr.Cc1ccc(C)c2c1CCC21OCCO1
InChIInChI=1S/C13H16O2.CH3Br/c1-9-3-4-10(2)12-11(9)5-6-13(12)14-7-8-15-13;1-2/h3-4H,5-8H2,1-2H3;1H3
InChIKeyULLMHGSIBSTYPU-UHFFFAOYSA-N
XLogP3.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,7-dimethylspiro[1,2-dihydroindene-3,4'-oxane];ethane;methane
CID 144594027
4,7-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]
CID 123186301
7-iodo-4-methylspiro[1,2-dihydroindene-3,2'-oxetane]
CID 129143924
7-methylspiro[1,2-dihydroindene-3,2'-oxetane]
CID 84618324
(1S,10R)-3,6-dimethyl-16-oxatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6,12-tetraene
CID 98162500
(4'-acetyloxy-7,7'-dimethyl-3,3'-spirobi[1,2-dihydroindene]-4-yl) acetate
CID 58636069
2,2-difluoro-5,8-dimethyl-3,4-dihydrochromene
CID 143987826
3a,6-dimethyl-2,3,4,5-tetrahydro-1H-acenaphthylene
CID 177102559
3,3,8-trimethyl-2,4-dihydro-1H-naphthalene
CID 59978113
4-methoxy-7-methylspiro[1,2-dihydroindene-3,1'-cyclopentane]
CID 144594164
5-bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
CID 69199578
(1R,10S,12R,14S)-5,13,13-trimethyl-9,18-dioxapentacyclo[8.6.2.12,6.01,12.010,19]nonadeca-2(19),3,5-trien-14-ol
CID 162851736

Frequently Asked Questions

What is the IUPAC name of bromomethane;4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]?
The IUPAC name of bromomethane;4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane] (CID 91179603) is bromomethane;4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane].
What is the SMILES notation for bromomethane;4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]?
The canonical SMILES for bromomethane;4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane] is CBr.Cc1ccc(C)c2c1CCC21OCCO1.
What is the InChIKey of bromomethane;4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]?
The InChIKey is ULLMHGSIBSTYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2.CH3Br/c1-9-3-4-10(2)12-11(9)5-6-13(12)14-7-8-15-13;1-2/h3-4H,5-8H2,1-2H3;1H3.
What are the key properties of bromomethane;4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]?
bromomethane;4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane] has a molecular weight of 299.21 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethane;4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane] is sourced from PubChem (CID 91179603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).