1-(bromomethyl)-1-(butoxymethyl)cyclopropane

C9H17BrO — CID 65008913

IUPAC1-(bromomethyl)-1-(butoxymethyl)cyclopropane
SMILESCCCCOCC1(CBr)CC1
InChIInChI=1S/C9H17BrO/c1-2-3-6-11-8-9(7-10)4-5-9/h2-8H2,1H3
InChIKeyXWCFDMPNCGYCBO-UHFFFAOYSA-N
MW221.14 g/mol
LogP2.98
Rot. Bonds6

About 1-(bromomethyl)-1-(butoxymethyl)cyclopropane

1-(bromomethyl)-1-(butoxymethyl)cyclopropane (PubChem CID 65008913) has the molecular formula C9H17BrO and a molecular weight of 221.14 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(butoxymethyl)cyclopropane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(butoxymethyl)cyclopropane
PubChem CID65008913
Molecular FormulaC9H17BrO
Molecular Weight221.14 g/mol
Exact Mass220.05
IUPAC Name1-(bromomethyl)-1-(butoxymethyl)cyclopropane
SMILESCCCCOCC1(CBr)CC1
InChIInChI=1S/C9H17BrO/c1-2-3-6-11-8-9(7-10)4-5-9/h2-8H2,1H3
InChIKeyXWCFDMPNCGYCBO-UHFFFAOYSA-N
XLogP2.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.14
LogP ≤ 52.98
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-(Bromomethyl)-1-(methoxymethyl)cyclopropane
CID 17937352
2-Bromo-1-(methoxymethyl)-1-methylcyclopropane
CID 13658336
1-(4-Bromobutoxy)-3-methylbutane
CID 21434065
1-(3-Bromopropoxy)-3-methylbutane
CID 43135435
1-(2-Bromoethoxy)-3,3-dimethylbutane
CID 66234057
1-(4-Bromobutoxy)-3,3-dimethylbutane
CID 66234058
1-(3-Bromopropoxy)-2-methylbutane
CID 86068453
1-(4-Bromobutoxy)-2-methylbutane
CID 86068455
(2S)-1-(4-bromobutoxy)-2-methylbutane
CID 87891519
(2S)-1-(3-bromopropoxy)-2-methylbutane
CID 87892051
1-(4-Bromobutoxy)-2,2-dimethylpropane
CID 129173665
2-Bromo-1-ethoxy-3,3-dimethylbutane
CID 12560784

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-(butoxymethyl)cyclopropane?
The IUPAC name of 1-(bromomethyl)-1-(butoxymethyl)cyclopropane (CID 65008913) is 1-(bromomethyl)-1-(butoxymethyl)cyclopropane.
What is the SMILES notation for 1-(bromomethyl)-1-(butoxymethyl)cyclopropane?
The canonical SMILES for 1-(bromomethyl)-1-(butoxymethyl)cyclopropane is CCCCOCC1(CBr)CC1.
What is the InChIKey of 1-(bromomethyl)-1-(butoxymethyl)cyclopropane?
The InChIKey is XWCFDMPNCGYCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BrO/c1-2-3-6-11-8-9(7-10)4-5-9/h2-8H2,1H3.
What are the key properties of 1-(bromomethyl)-1-(butoxymethyl)cyclopropane?
1-(bromomethyl)-1-(butoxymethyl)cyclopropane has a molecular weight of 221.14 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-(butoxymethyl)cyclopropane is sourced from PubChem (CID 65008913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).