2-(5-bromopentylsulfanylmethyl)oxolane

C10H19BrOS — CID 106493701

IUPAC2-(5-bromopentylsulfanylmethyl)oxolane
SMILESBrCCCCCSCC1CCCO1
InChIInChI=1S/C10H19BrOS/c11-6-2-1-3-8-13-9-10-5-4-7-12-10/h10H,1-9H2
InChIKeyHSDZBBDTGOMUHO-UHFFFAOYSA-N
MW267.23 g/mol
LogP3.46
Rot. Bonds7

About 2-(5-bromopentylsulfanylmethyl)oxolane

2-(5-bromopentylsulfanylmethyl)oxolane (PubChem CID 106493701) has the molecular formula C10H19BrOS and a molecular weight of 267.23 g/mol. Its IUPAC name is 2-(5-bromopentylsulfanylmethyl)oxolane.

Molecular Properties

Compound Name2-(5-bromopentylsulfanylmethyl)oxolane
PubChem CID106493701
Molecular FormulaC10H19BrOS
Molecular Weight267.23 g/mol
Exact Mass266.03
IUPAC Name2-(5-bromopentylsulfanylmethyl)oxolane
SMILESBrCCCCCSCC1CCCO1
InChIInChI=1S/C10H19BrOS/c11-6-2-1-3-8-13-9-10-5-4-7-12-10/h10H,1-9H2
InChIKeyHSDZBBDTGOMUHO-UHFFFAOYSA-N
XLogP3.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
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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Related Compounds

(3S,4S,5R)-2-bromo-4-butoxy-5-(butoxymethyl)-3-fluorothiolane
CID 118120914
2-Bromo-2-[(2-methylpropan-2-yl)oxymethyl]thiolane
CID 69843463
4-(4-Bromobutylsulfanyl)oxane
CID 62995864
4-(5-Bromopentylsulfanyl)oxane
CID 64203774
3-Bromo-4-(2-propan-2-yloxyethyl)thiolane
CID 83190188
2-[(5-Bromo-3-methylpentyl)sulfanylmethyl]oxolane
CID 106493690
1-Bromo-3-(oxolan-2-ylmethylsulfanyl)propan-2-ol
CID 106493693
2-[(3-Bromo-2-methylpropyl)sulfanylmethyl]oxolane
CID 106493695
2-[2-(Bromomethyl)pentylsulfanylmethyl]oxolane
CID 106493696
2-[2-(Bromomethyl)butylsulfanylmethyl]oxolane
CID 106493706
2-(9-Bromononylsulfanylmethyl)oxolane
CID 106493709
2-(2-Bromoethylsulfanylmethyl)oxolane
CID 106493710

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromopentylsulfanylmethyl)oxolane?
The IUPAC name of 2-(5-bromopentylsulfanylmethyl)oxolane (CID 106493701) is 2-(5-bromopentylsulfanylmethyl)oxolane.
What is the SMILES notation for 2-(5-bromopentylsulfanylmethyl)oxolane?
The canonical SMILES for 2-(5-bromopentylsulfanylmethyl)oxolane is BrCCCCCSCC1CCCO1.
What is the InChIKey of 2-(5-bromopentylsulfanylmethyl)oxolane?
The InChIKey is HSDZBBDTGOMUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrOS/c11-6-2-1-3-8-13-9-10-5-4-7-12-10/h10H,1-9H2.
What are the key properties of 2-(5-bromopentylsulfanylmethyl)oxolane?
2-(5-bromopentylsulfanylmethyl)oxolane has a molecular weight of 267.23 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromopentylsulfanylmethyl)oxolane is sourced from PubChem (CID 106493701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).