3-bromopropoxycyclopropane

C6H11BrO — CID 90046503

IUPAC3-bromopropoxycyclopropane
SMILESBrCCCOC1CC1
InChIInChI=1S/C6H11BrO/c7-4-1-5-8-6-2-3-6/h6H,1-5H2
InChIKeyCRLOOAQXRHXDLI-UHFFFAOYSA-N
MW179.06 g/mol
LogP1.95
Rot. Bonds4

About 3-bromopropoxycyclopropane

3-bromopropoxycyclopropane (PubChem CID 90046503) has the molecular formula C6H11BrO and a molecular weight of 179.06 g/mol. Its IUPAC name is 3-bromopropoxycyclopropane.

Molecular Properties

Compound Name3-bromopropoxycyclopropane
PubChem CID90046503
Molecular FormulaC6H11BrO
Molecular Weight179.06 g/mol
Exact Mass178.00
IUPAC Name3-bromopropoxycyclopropane
SMILESBrCCCOC1CC1
InChIInChI=1S/C6H11BrO/c7-4-1-5-8-6-2-3-6/h6H,1-5H2
InChIKeyCRLOOAQXRHXDLI-UHFFFAOYSA-N
XLogP1.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.06
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

1-Bromo-2-ethoxycyclopropane
CID 12937420
1-Bromo-3-(propan-2-yloxy)propane
CID 12613777
1-Bromo-3-ethoxybutane
CID 12927224
(2-Bromoethoxy)cyclopropane
CID 89453241
1-(Bromomethyl)propyl ethyl ether
CID 13704128
1-Bromo-2-ethoxypropane
CID 53905970
1,1-Dibromo-2-ethoxycyclopropane
CID 12473778
1-Bromo-2-ethoxycyclopropyllithium
CID 15711178
(2-Bromo-3-fluoropropoxy)cyclopropane
CID 165961807
2-(3-Bromopropoxy)butane
CID 60903324
1-Bromoethoxycyclopropane
CID 67692595
2-(Bromomethyl)oxirane;ethoxyethane
CID 87830784

Frequently Asked Questions

What is the IUPAC name of 3-bromopropoxycyclopropane?
The IUPAC name of 3-bromopropoxycyclopropane (CID 90046503) is 3-bromopropoxycyclopropane.
What is the SMILES notation for 3-bromopropoxycyclopropane?
The canonical SMILES for 3-bromopropoxycyclopropane is BrCCCOC1CC1.
What is the InChIKey of 3-bromopropoxycyclopropane?
The InChIKey is CRLOOAQXRHXDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BrO/c7-4-1-5-8-6-2-3-6/h6H,1-5H2.
What are the key properties of 3-bromopropoxycyclopropane?
3-bromopropoxycyclopropane has a molecular weight of 179.06 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopropoxycyclopropane is sourced from PubChem (CID 90046503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).