3-(bromomethyl)-3-(2-ethylsulfanylethyl)-2-methyloxolane

C10H19BrOS — CID 114535945

IUPAC3-(bromomethyl)-3-(2-ethylsulfanylethyl)-2-methyloxolane
SMILESCCSCCC1(CBr)CCOC1C
InChIInChI=1S/C10H19BrOS/c1-3-13-7-5-10(8-11)4-6-12-9(10)2/h9H,3-8H2,1-2H3
InChIKeyJRCRYKFTRISEBB-UHFFFAOYSA-N
MW267.23 g/mol
LogP3.32
Rot. Bonds5

About 3-(bromomethyl)-3-(2-ethylsulfanylethyl)-2-methyloxolane

3-(bromomethyl)-3-(2-ethylsulfanylethyl)-2-methyloxolane (PubChem CID 114535945) has the molecular formula C10H19BrOS and a molecular weight of 267.23 g/mol. Its IUPAC name is 3-(bromomethyl)-3-(2-ethylsulfanylethyl)-2-methyloxolane.

Molecular Properties

Compound Name3-(bromomethyl)-3-(2-ethylsulfanylethyl)-2-methyloxolane
PubChem CID114535945
Molecular FormulaC10H19BrOS
Molecular Weight267.23 g/mol
Exact Mass266.03
IUPAC Name3-(bromomethyl)-3-(2-ethylsulfanylethyl)-2-methyloxolane
SMILESCCSCCC1(CBr)CCOC1C
InChIInChI=1S/C10H19BrOS/c1-3-13-7-5-10(8-11)4-6-12-9(10)2/h9H,3-8H2,1-2H3
InChIKeyJRCRYKFTRISEBB-UHFFFAOYSA-N
XLogP3.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(Bromomethyl)-2-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]oxolane
CID 114535991
4-[2-(Bromomethyl)-2-ethylbutyl]sulfanyloxane
CID 64999012
4-(Bromomethyl)-4-(2-methylpropylsulfanylmethyl)oxane
CID 65004284
4-(Bromomethyl)-4-(2-methoxyethylsulfanylmethyl)oxane
CID 65004335
4-(Bromomethyl)-4-(tert-butylsulfanylmethyl)oxane
CID 65004336
4-(Bromomethyl)-4-(propylsulfanylmethyl)oxane
CID 65004337
4-(Bromomethyl)-4-(butan-2-ylsulfanylmethyl)oxane
CID 65004338
4-(Bromomethyl)-4-(ethylsulfanylmethyl)oxane
CID 65004386
4-(Bromomethyl)-4-(cyclopentylsulfanylmethyl)oxane
CID 65004441
4-(Bromomethyl)-4-(3-methoxypropylsulfanylmethyl)oxane
CID 65004544
4-(Bromomethyl)-4-(butylsulfanylmethyl)oxane
CID 65004742
4-(Bromomethyl)-4-(propan-2-ylsulfanylmethyl)oxane
CID 65004796

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-3-(2-ethylsulfanylethyl)-2-methyloxolane?
The IUPAC name of 3-(bromomethyl)-3-(2-ethylsulfanylethyl)-2-methyloxolane (CID 114535945) is 3-(bromomethyl)-3-(2-ethylsulfanylethyl)-2-methyloxolane.
What is the SMILES notation for 3-(bromomethyl)-3-(2-ethylsulfanylethyl)-2-methyloxolane?
The canonical SMILES for 3-(bromomethyl)-3-(2-ethylsulfanylethyl)-2-methyloxolane is CCSCCC1(CBr)CCOC1C.
What is the InChIKey of 3-(bromomethyl)-3-(2-ethylsulfanylethyl)-2-methyloxolane?
The InChIKey is JRCRYKFTRISEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrOS/c1-3-13-7-5-10(8-11)4-6-12-9(10)2/h9H,3-8H2,1-2H3.
What are the key properties of 3-(bromomethyl)-3-(2-ethylsulfanylethyl)-2-methyloxolane?
3-(bromomethyl)-3-(2-ethylsulfanylethyl)-2-methyloxolane has a molecular weight of 267.23 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-3-(2-ethylsulfanylethyl)-2-methyloxolane is sourced from PubChem (CID 114535945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).