2-[[1-(bromomethyl)cyclopropyl]methylsulfonylmethyl]oxolane

C10H17BrO3S — CID 106493733

IUPAC2-[[1-(bromomethyl)cyclopropyl]methylsulfonylmethyl]oxolane
SMILESO=S(=O)(CC1CCCO1)CC1(CBr)CC1
InChIInChI=1S/C10H17BrO3S/c11-7-10(3-4-10)8-15(12,13)6-9-2-1-5-14-9/h9H,1-8H2
InChIKeyCCIKNBQTMBDDNR-UHFFFAOYSA-N
MW297.21 g/mol
LogP1.76
Rot. Bonds5

About 2-[[1-(bromomethyl)cyclopropyl]methylsulfonylmethyl]oxolane

2-[[1-(bromomethyl)cyclopropyl]methylsulfonylmethyl]oxolane (PubChem CID 106493733) has the molecular formula C10H17BrO3S and a molecular weight of 297.21 g/mol. Its IUPAC name is 2-[[1-(bromomethyl)cyclopropyl]methylsulfonylmethyl]oxolane.

Molecular Properties

Compound Name2-[[1-(bromomethyl)cyclopropyl]methylsulfonylmethyl]oxolane
PubChem CID106493733
Molecular FormulaC10H17BrO3S
Molecular Weight297.21 g/mol
Exact Mass296.01
IUPAC Name2-[[1-(bromomethyl)cyclopropyl]methylsulfonylmethyl]oxolane
SMILESO=S(=O)(CC1CCCO1)CC1(CBr)CC1
InChIInChI=1S/C10H17BrO3S/c11-7-10(3-4-10)8-15(12,13)6-9-2-1-5-14-9/h9H,1-8H2
InChIKeyCCIKNBQTMBDDNR-UHFFFAOYSA-N
XLogP1.76
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.21
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[1-(Bromomethyl)cyclopropyl]methylsulfonyl]oxane
CID 65008326
3-(Bromomethyl)-3-(2-ethylsulfonylethyl)oxolane
CID 66050747
3-Bromo-4-[(2-methylpentyl)oxy]-1lambda6-thiolane-1,1-dione
CID 103285113
3-Bromo-4-(2-cyclopropylethoxy)-1lambda6-thiolane-1,1-dione
CID 106204732
2-[[1-(Bromomethyl)cyclopropyl]methylsulfanylmethyl]oxolane
CID 106493718
2-[(5-Bromo-3-methylpentyl)sulfonylmethyl]oxolane
CID 106493722
2-[[2-(Bromomethyl)-3-methylbutyl]sulfonylmethyl]oxolane
CID 106493727
2-(4-Bromobutylsulfonylmethyl)oxolane
CID 106493728
2-[2-(Bromomethyl)pentylsulfonylmethyl]oxolane
CID 106493730
2-(3-Bromopropylsulfonylmethyl)oxolane
CID 106493731
2-[(3-Bromo-2,2-dimethylpropyl)sulfonylmethyl]oxolane
CID 106493735
2-[[1-(Bromomethyl)cyclobutyl]methylsulfonylmethyl]oxolane
CID 106493738

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(bromomethyl)cyclopropyl]methylsulfonylmethyl]oxolane?
The IUPAC name of 2-[[1-(bromomethyl)cyclopropyl]methylsulfonylmethyl]oxolane (CID 106493733) is 2-[[1-(bromomethyl)cyclopropyl]methylsulfonylmethyl]oxolane.
What is the SMILES notation for 2-[[1-(bromomethyl)cyclopropyl]methylsulfonylmethyl]oxolane?
The canonical SMILES for 2-[[1-(bromomethyl)cyclopropyl]methylsulfonylmethyl]oxolane is O=S(=O)(CC1CCCO1)CC1(CBr)CC1.
What is the InChIKey of 2-[[1-(bromomethyl)cyclopropyl]methylsulfonylmethyl]oxolane?
The InChIKey is CCIKNBQTMBDDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrO3S/c11-7-10(3-4-10)8-15(12,13)6-9-2-1-5-14-9/h9H,1-8H2.
What are the key properties of 2-[[1-(bromomethyl)cyclopropyl]methylsulfonylmethyl]oxolane?
2-[[1-(bromomethyl)cyclopropyl]methylsulfonylmethyl]oxolane has a molecular weight of 297.21 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(bromomethyl)cyclopropyl]methylsulfonylmethyl]oxolane is sourced from PubChem (CID 106493733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).