2-[2-(bromomethyl)butylsulfanylmethyl]oxolane

C10H19BrOS — CID 106493706

IUPAC2-[2-(bromomethyl)butylsulfanylmethyl]oxolane
SMILESCCC(CBr)CSCC1CCCO1
InChIInChI=1S/C10H19BrOS/c1-2-9(6-11)7-13-8-10-4-3-5-12-10/h9-10H,2-8H2,1H3
InChIKeyHODPGNMYFQHNED-UHFFFAOYSA-N
MW267.23 g/mol
LogP3.32
Rot. Bonds6

About 2-[2-(bromomethyl)butylsulfanylmethyl]oxolane

2-[2-(bromomethyl)butylsulfanylmethyl]oxolane (PubChem CID 106493706) has the molecular formula C10H19BrOS and a molecular weight of 267.23 g/mol. Its IUPAC name is 2-[2-(bromomethyl)butylsulfanylmethyl]oxolane.

Molecular Properties

Compound Name2-[2-(bromomethyl)butylsulfanylmethyl]oxolane
PubChem CID106493706
Molecular FormulaC10H19BrOS
Molecular Weight267.23 g/mol
Exact Mass266.03
IUPAC Name2-[2-(bromomethyl)butylsulfanylmethyl]oxolane
SMILESCCC(CBr)CSCC1CCCO1
InChIInChI=1S/C10H19BrOS/c1-2-9(6-11)7-13-8-10-4-3-5-12-10/h9-10H,2-8H2,1H3
InChIKeyHODPGNMYFQHNED-UHFFFAOYSA-N
XLogP3.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-Bromo-2-[(2-methylpropan-2-yl)oxymethyl]thiolane
CID 69843463
3-(2-Propan-2-yloxyethyl)thiolane
CID 156869176
4-[2-(Bromomethyl)butylsulfanyl]oxane
CID 65000210
3-Bromo-4-(2-propan-2-yloxyethyl)thiolane
CID 83190188
3-Bromo-4-(3-ethoxypropyl)thiolane
CID 83190536
3-Bromo-4-(2-butoxyethyl)thiolane
CID 83190635
3-Bromo-4-(2-ethoxyethyl)thiolane
CID 83191067
3-Bromo-4-[2-(2-methoxyethoxy)ethyl]thiolane
CID 83191365
3-Bromo-4-[2-(3-methylbutoxy)ethyl]thiolane
CID 83191568
3-Bromo-4-[2-(3-methoxypropoxy)ethyl]thiolane
CID 103182555
3-Bromo-4-(2-methoxypropyl)thiolane
CID 104169038
3-Bromo-4-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]thiolane
CID 104565977

Frequently Asked Questions

What is the IUPAC name of 2-[2-(bromomethyl)butylsulfanylmethyl]oxolane?
The IUPAC name of 2-[2-(bromomethyl)butylsulfanylmethyl]oxolane (CID 106493706) is 2-[2-(bromomethyl)butylsulfanylmethyl]oxolane.
What is the SMILES notation for 2-[2-(bromomethyl)butylsulfanylmethyl]oxolane?
The canonical SMILES for 2-[2-(bromomethyl)butylsulfanylmethyl]oxolane is CCC(CBr)CSCC1CCCO1.
What is the InChIKey of 2-[2-(bromomethyl)butylsulfanylmethyl]oxolane?
The InChIKey is HODPGNMYFQHNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrOS/c1-2-9(6-11)7-13-8-10-4-3-5-12-10/h9-10H,2-8H2,1H3.
What are the key properties of 2-[2-(bromomethyl)butylsulfanylmethyl]oxolane?
2-[2-(bromomethyl)butylsulfanylmethyl]oxolane has a molecular weight of 267.23 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(bromomethyl)butylsulfanylmethyl]oxolane is sourced from PubChem (CID 106493706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).