2-(bromomethyl)-2-methyl-5-(2-methylthiolan-2-yl)oxolane

C11H19BrOS — CID 131084698

IUPAC2-(bromomethyl)-2-methyl-5-(2-methylthiolan-2-yl)oxolane
SMILESCC1(CBr)CCC(C2(C)CCCS2)O1
InChIInChI=1S/C11H19BrOS/c1-10(8-12)6-4-9(13-10)11(2)5-3-7-14-11/h9H,3-8H2,1-2H3
InChIKeyYWWCTKDMPCPHCO-UHFFFAOYSA-N
MW279.24 g/mol
LogP3.60
Rot. Bonds2

About 2-(bromomethyl)-2-methyl-5-(2-methylthiolan-2-yl)oxolane

2-(bromomethyl)-2-methyl-5-(2-methylthiolan-2-yl)oxolane (PubChem CID 131084698) has the molecular formula C11H19BrOS and a molecular weight of 279.24 g/mol. Its IUPAC name is 2-(bromomethyl)-2-methyl-5-(2-methylthiolan-2-yl)oxolane.

Molecular Properties

Compound Name2-(bromomethyl)-2-methyl-5-(2-methylthiolan-2-yl)oxolane
PubChem CID131084698
Molecular FormulaC11H19BrOS
Molecular Weight279.24 g/mol
Exact Mass278.03
IUPAC Name2-(bromomethyl)-2-methyl-5-(2-methylthiolan-2-yl)oxolane
SMILESCC1(CBr)CCC(C2(C)CCCS2)O1
InChIInChI=1S/C11H19BrOS/c1-10(8-12)6-4-9(13-10)11(2)5-3-7-14-11/h9H,3-8H2,1-2H3
InChIKeyYWWCTKDMPCPHCO-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 53.60
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

2-Methyl-2-(thiolan-2-ylmethyl)oxolane
CID 91383582
2-[1-(Thiolan-2-yl)ethyl]oxolane
CID 91582838
2-Methyl-5-[1-(thiolan-2-yl)ethyl]oxolane
CID 123400456
4-Methyl-2-(3-methylthiolan-2-yl)oxolane
CID 135243838
9-(3-Bromo-4-methylpentyl)-6-oxa-2-thiaspiro[4.5]decane
CID 79922654
9-(3-Bromohexyl)-6-oxa-2-thiaspiro[4.5]decane
CID 79923037
9-(3-Bromopropyl)-6-oxa-2-thiaspiro[4.5]decane
CID 79923294
9-(3-Bromo-2-methylpropyl)-6-oxa-2-thiaspiro[4.5]decane
CID 79923301
9-(3-Bromobutyl)-6-oxa-2-thiaspiro[4.5]decane
CID 79923666
9-(4-Bromopentan-2-yl)-6-oxa-2-thiaspiro[4.5]decane
CID 79924160
9-(3-Bromopentyl)-6-oxa-2-thiaspiro[4.5]decane
CID 79924286
9-(3-Bromobutan-2-yl)-6-oxa-2-thiaspiro[4.5]decane
CID 80075730

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-2-methyl-5-(2-methylthiolan-2-yl)oxolane?
The IUPAC name of 2-(bromomethyl)-2-methyl-5-(2-methylthiolan-2-yl)oxolane (CID 131084698) is 2-(bromomethyl)-2-methyl-5-(2-methylthiolan-2-yl)oxolane.
What is the SMILES notation for 2-(bromomethyl)-2-methyl-5-(2-methylthiolan-2-yl)oxolane?
The canonical SMILES for 2-(bromomethyl)-2-methyl-5-(2-methylthiolan-2-yl)oxolane is CC1(CBr)CCC(C2(C)CCCS2)O1.
What is the InChIKey of 2-(bromomethyl)-2-methyl-5-(2-methylthiolan-2-yl)oxolane?
The InChIKey is YWWCTKDMPCPHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrOS/c1-10(8-12)6-4-9(13-10)11(2)5-3-7-14-11/h9H,3-8H2,1-2H3.
What are the key properties of 2-(bromomethyl)-2-methyl-5-(2-methylthiolan-2-yl)oxolane?
2-(bromomethyl)-2-methyl-5-(2-methylthiolan-2-yl)oxolane has a molecular weight of 279.24 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-2-methyl-5-(2-methylthiolan-2-yl)oxolane is sourced from PubChem (CID 131084698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).