1-(bromomethyl)-1-(heptoxymethyl)cyclopropane

C12H23BrO — CID 65008372

IUPAC1-(bromomethyl)-1-(heptoxymethyl)cyclopropane
SMILESCCCCCCCOCC1(CBr)CC1
InChIInChI=1S/C12H23BrO/c1-2-3-4-5-6-9-14-11-12(10-13)7-8-12/h2-11H2,1H3
InChIKeyPLJNSDSYQYPBSO-UHFFFAOYSA-N
MW263.22 g/mol
LogP4.15
Rot. Bonds9

About 1-(bromomethyl)-1-(heptoxymethyl)cyclopropane

1-(bromomethyl)-1-(heptoxymethyl)cyclopropane (PubChem CID 65008372) has the molecular formula C12H23BrO and a molecular weight of 263.22 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(heptoxymethyl)cyclopropane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(heptoxymethyl)cyclopropane
PubChem CID65008372
Molecular FormulaC12H23BrO
Molecular Weight263.22 g/mol
Exact Mass262.09
IUPAC Name1-(bromomethyl)-1-(heptoxymethyl)cyclopropane
SMILESCCCCCCCOCC1(CBr)CC1
InChIInChI=1S/C12H23BrO/c1-2-3-4-5-6-9-14-11-12(10-13)7-8-12/h2-11H2,1H3
InChIKeyPLJNSDSYQYPBSO-UHFFFAOYSA-N
XLogP4.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 54.15
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

3,3-bis(octoxymethyl)oxetane
CID 58963686
1-(bromomethyl)-1-(2-butoxyethyl)cyclopentane
CID 66048902
3-ethyl-3-(octadecoxymethyl)oxetane
CID 22496628
1-(bromomethoxy)nonane
CID 156529703
1-(bromomethyl)-1-(2-ethoxyethoxymethyl)cyclohexane
CID 65001789
1-(bromomethyl)-1-(3-methylbut-3-enoxymethyl)cyclopropane
CID 114470048
1-decoxydocosane
CID 87077677
1-dodecoxyhexadecane
CID 22256973
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-(heptoxymethyl)cyclopropane?
The IUPAC name of 1-(bromomethyl)-1-(heptoxymethyl)cyclopropane (CID 65008372) is 1-(bromomethyl)-1-(heptoxymethyl)cyclopropane.
What is the SMILES notation for 1-(bromomethyl)-1-(heptoxymethyl)cyclopropane?
The canonical SMILES for 1-(bromomethyl)-1-(heptoxymethyl)cyclopropane is CCCCCCCOCC1(CBr)CC1.
What is the InChIKey of 1-(bromomethyl)-1-(heptoxymethyl)cyclopropane?
The InChIKey is PLJNSDSYQYPBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrO/c1-2-3-4-5-6-9-14-11-12(10-13)7-8-12/h2-11H2,1H3.
What are the key properties of 1-(bromomethyl)-1-(heptoxymethyl)cyclopropane?
1-(bromomethyl)-1-(heptoxymethyl)cyclopropane has a molecular weight of 263.22 g/mol, XLogP of 4.15, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-(heptoxymethyl)cyclopropane is sourced from PubChem (CID 65008372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).