2-[bromo-(4-bromo-5-methylthiophen-2-yl)methyl]-2-methyloxolane

C11H14Br2OS — CID 102835783

IUPAC2-[bromo-(4-bromo-5-methylthiophen-2-yl)methyl]-2-methyloxolane
SMILESCc1sc(C(Br)C2(C)CCCO2)cc1Br
InChIInChI=1S/C11H14Br2OS/c1-7-8(12)6-9(15-7)10(13)11(2)4-3-5-14-11/h6,10H,3-5H2,1-2H3
InChIKeyJGLPWCHOTHRPKF-UHFFFAOYSA-N
MW354.11 g/mol
LogP4.82
Rot. Bonds2

About 2-[bromo-(4-bromo-5-methylthiophen-2-yl)methyl]-2-methyloxolane

2-[bromo-(4-bromo-5-methylthiophen-2-yl)methyl]-2-methyloxolane (PubChem CID 102835783) has the molecular formula C11H14Br2OS and a molecular weight of 354.11 g/mol. Its IUPAC name is 2-[bromo-(4-bromo-5-methylthiophen-2-yl)methyl]-2-methyloxolane.

Molecular Properties

Compound Name2-[bromo-(4-bromo-5-methylthiophen-2-yl)methyl]-2-methyloxolane
PubChem CID102835783
Molecular FormulaC11H14Br2OS
Molecular Weight354.11 g/mol
Exact Mass351.91
IUPAC Name2-[bromo-(4-bromo-5-methylthiophen-2-yl)methyl]-2-methyloxolane
SMILESCc1sc(C(Br)C2(C)CCCO2)cc1Br
InChIInChI=1S/C11H14Br2OS/c1-7-8(12)6-9(15-7)10(13)11(2)4-3-5-14-11/h6,10H,3-5H2,1-2H3
InChIKeyJGLPWCHOTHRPKF-UHFFFAOYSA-N
XLogP4.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.11
LogP ≤ 54.82
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-bromo-5-chlorothiophen-2-yl)-(2-methyloxolan-2-yl)methanol
CID 102835170
(4-bromo-5-methylthiophen-2-yl)-(1-methylcyclopropyl)methanamine
CID 130553169
(1R)-1-(4-bromo-5-methylthiophen-2-yl)ethanamine
CID 102839149
1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 102827357
3-bromo-5-[bromo(cyclobutyl)methyl]-2-methylthiophene
CID 102835800
3-bromo-5-[bromo-(4-bromo-3-methylphenyl)methyl]-2-methylthiophene
CID 102835790
3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-methylthiophene
CID 103514682
3-bromo-5-[bromo-(3,5-dibromophenyl)methyl]-2-methylthiophene
CID 107981023
5-[7-bicyclo[4.1.0]heptanyl(bromo)methyl]-3-bromo-2-methylthiophene
CID 102836130
[(3,4-dimethylphenyl)-(2-methyloxolan-2-yl)methyl]hydrazine
CID 105250890
(2R)-2-methyl-2-propan-2-yloxolane
CID 59911363
(4-bromo-5-methylthiophen-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 102829795

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(4-bromo-5-methylthiophen-2-yl)methyl]-2-methyloxolane?
The IUPAC name of 2-[bromo-(4-bromo-5-methylthiophen-2-yl)methyl]-2-methyloxolane (CID 102835783) is 2-[bromo-(4-bromo-5-methylthiophen-2-yl)methyl]-2-methyloxolane.
What is the SMILES notation for 2-[bromo-(4-bromo-5-methylthiophen-2-yl)methyl]-2-methyloxolane?
The canonical SMILES for 2-[bromo-(4-bromo-5-methylthiophen-2-yl)methyl]-2-methyloxolane is Cc1sc(C(Br)C2(C)CCCO2)cc1Br.
What is the InChIKey of 2-[bromo-(4-bromo-5-methylthiophen-2-yl)methyl]-2-methyloxolane?
The InChIKey is JGLPWCHOTHRPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2OS/c1-7-8(12)6-9(15-7)10(13)11(2)4-3-5-14-11/h6,10H,3-5H2,1-2H3.
What are the key properties of 2-[bromo-(4-bromo-5-methylthiophen-2-yl)methyl]-2-methyloxolane?
2-[bromo-(4-bromo-5-methylthiophen-2-yl)methyl]-2-methyloxolane has a molecular weight of 354.11 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(4-bromo-5-methylthiophen-2-yl)methyl]-2-methyloxolane is sourced from PubChem (CID 102835783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).