(3R)-3-(3-bromopropoxy)oxolane

C7H13BrO2 — CID 95240996

IUPAC(3R)-3-(3-bromopropoxy)oxolane
SMILESBrCCCO[C@@H]1CCOC1
InChIInChI=1S/C7H13BrO2/c8-3-1-4-10-7-2-5-9-6-7/h7H,1-6H2/t7-/m1/s1
InChIKeyVQNKAASCKJUINI-SSDOTTSWSA-N
MW209.08 g/mol
LogP1.58
Rot. Bonds4

About (3R)-3-(3-bromopropoxy)oxolane

(3R)-3-(3-bromopropoxy)oxolane (PubChem CID 95240996) has the molecular formula C7H13BrO2 and a molecular weight of 209.08 g/mol. Its IUPAC name is (3R)-3-(3-bromopropoxy)oxolane.

Molecular Properties

Compound Name(3R)-3-(3-bromopropoxy)oxolane
PubChem CID95240996
Molecular FormulaC7H13BrO2
Molecular Weight209.08 g/mol
Exact Mass208.01
IUPAC Name(3R)-3-(3-bromopropoxy)oxolane
SMILESBrCCCO[C@@H]1CCOC1
InChIInChI=1S/C7H13BrO2/c8-3-1-4-10-7-2-5-9-6-7/h7H,1-6H2/t7-/m1/s1
InChIKeyVQNKAASCKJUINI-SSDOTTSWSA-N
XLogP1.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.08
LogP ≤ 51.58
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-[(3R)-oxolan-3-yl]oxypropan-1-amine
CID 95969618
3-propoxyoxolane
CID 14071397
ethane;3-ethoxyoxolane
CID 142523367
3-[2-(1-bromo-2-methylpropan-2-yl)oxyethoxy]oxolane
CID 165492982
3-[2-(2-bromocyclopentyl)oxyethoxy]oxolane
CID 165492983
2,2-dimethyl-N-[3-(oxolan-3-yloxy)propyl]propan-1-amine
CID 115690996
2-[2-(oxolan-3-yloxy)ethoxy]ethanamine
CID 103482534
N-ethyl-5-(oxolan-3-yloxy)pentan-2-amine
CID 63557232
4-[3-(oxolan-3-yloxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120674287
4-(oxolan-3-yloxy)butan-2-one
CID 63559452
3-[2-(oxolan-3-yloxy)ethyl]azetidine
CID 107391728
3-pentoxyoxane
CID 54336380

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-bromopropoxy)oxolane?
The IUPAC name of (3R)-3-(3-bromopropoxy)oxolane (CID 95240996) is (3R)-3-(3-bromopropoxy)oxolane.
What is the SMILES notation for (3R)-3-(3-bromopropoxy)oxolane?
The canonical SMILES for (3R)-3-(3-bromopropoxy)oxolane is BrCCCO[C@@H]1CCOC1.
What is the InChIKey of (3R)-3-(3-bromopropoxy)oxolane?
The InChIKey is VQNKAASCKJUINI-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H13BrO2/c8-3-1-4-10-7-2-5-9-6-7/h7H,1-6H2/t7-/m1/s1.
What are the key properties of (3R)-3-(3-bromopropoxy)oxolane?
(3R)-3-(3-bromopropoxy)oxolane has a molecular weight of 209.08 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-bromopropoxy)oxolane is sourced from PubChem (CID 95240996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).