3-(5-bromopentylsulfanyl)-2-methyloxolane

C10H19BrOS — CID 107746808

IUPAC3-(5-bromopentylsulfanyl)-2-methyloxolane
SMILESCC1OCCC1SCCCCCBr
InChIInChI=1S/C10H19BrOS/c1-9-10(5-7-12-9)13-8-4-2-3-6-11/h9-10H,2-8H2,1H3
InChIKeyBFCVPBVOOXHFPN-UHFFFAOYSA-N
MW267.23 g/mol
LogP3.46
Rot. Bonds6

About 3-(5-bromopentylsulfanyl)-2-methyloxolane

3-(5-bromopentylsulfanyl)-2-methyloxolane (PubChem CID 107746808) has the molecular formula C10H19BrOS and a molecular weight of 267.23 g/mol. Its IUPAC name is 3-(5-bromopentylsulfanyl)-2-methyloxolane.

Molecular Properties

Compound Name3-(5-bromopentylsulfanyl)-2-methyloxolane
PubChem CID107746808
Molecular FormulaC10H19BrOS
Molecular Weight267.23 g/mol
Exact Mass266.03
IUPAC Name3-(5-bromopentylsulfanyl)-2-methyloxolane
SMILESCC1OCCC1SCCCCCBr
InChIInChI=1S/C10H19BrOS/c1-9-10(5-7-12-9)13-8-4-2-3-6-11/h9-10H,2-8H2,1H3
InChIKeyBFCVPBVOOXHFPN-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
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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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromopentylsulfanyl)-2-methyloxolane?
The IUPAC name of 3-(5-bromopentylsulfanyl)-2-methyloxolane (CID 107746808) is 3-(5-bromopentylsulfanyl)-2-methyloxolane.
What is the SMILES notation for 3-(5-bromopentylsulfanyl)-2-methyloxolane?
The canonical SMILES for 3-(5-bromopentylsulfanyl)-2-methyloxolane is CC1OCCC1SCCCCCBr.
What is the InChIKey of 3-(5-bromopentylsulfanyl)-2-methyloxolane?
The InChIKey is BFCVPBVOOXHFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrOS/c1-9-10(5-7-12-9)13-8-4-2-3-6-11/h9-10H,2-8H2,1H3.
What are the key properties of 3-(5-bromopentylsulfanyl)-2-methyloxolane?
3-(5-bromopentylsulfanyl)-2-methyloxolane has a molecular weight of 267.23 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromopentylsulfanyl)-2-methyloxolane is sourced from PubChem (CID 107746808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).