[2,2-bis(bromomethyl)-4-methylpentoxy]methylcyclopropane

C12H22Br2O — CID 106931452

IUPAC[2,2-bis(bromomethyl)-4-methylpentoxy]methylcyclopropane
SMILESCC(C)CC(CBr)(CBr)COCC1CC1
InChIInChI=1S/C12H22Br2O/c1-10(2)5-12(7-13,8-14)9-15-6-11-3-4-11/h10-11H,3-9H2,1-2H3
InChIKeyGGQPCIOYBRMSBV-UHFFFAOYSA-N
MW342.12 g/mol
LogP4.24
Rot. Bonds8

About [2,2-bis(bromomethyl)-4-methylpentoxy]methylcyclopropane

[2,2-bis(bromomethyl)-4-methylpentoxy]methylcyclopropane (PubChem CID 106931452) has the molecular formula C12H22Br2O and a molecular weight of 342.12 g/mol. Its IUPAC name is [2,2-bis(bromomethyl)-4-methylpentoxy]methylcyclopropane.

Molecular Properties

Compound Name[2,2-bis(bromomethyl)-4-methylpentoxy]methylcyclopropane
PubChem CID106931452
Molecular FormulaC12H22Br2O
Molecular Weight342.12 g/mol
Exact Mass340.00
IUPAC Name[2,2-bis(bromomethyl)-4-methylpentoxy]methylcyclopropane
SMILESCC(C)CC(CBr)(CBr)COCC1CC1
InChIInChI=1S/C12H22Br2O/c1-10(2)5-12(7-13,8-14)9-15-6-11-3-4-11/h10-11H,3-9H2,1-2H3
InChIKeyGGQPCIOYBRMSBV-UHFFFAOYSA-N
XLogP4.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.12
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2,2-bis(bromomethyl)-4-methylpentoxy]methylcyclopropane?
The IUPAC name of [2,2-bis(bromomethyl)-4-methylpentoxy]methylcyclopropane (CID 106931452) is [2,2-bis(bromomethyl)-4-methylpentoxy]methylcyclopropane.
What is the SMILES notation for [2,2-bis(bromomethyl)-4-methylpentoxy]methylcyclopropane?
The canonical SMILES for [2,2-bis(bromomethyl)-4-methylpentoxy]methylcyclopropane is CC(C)CC(CBr)(CBr)COCC1CC1.
What is the InChIKey of [2,2-bis(bromomethyl)-4-methylpentoxy]methylcyclopropane?
The InChIKey is GGQPCIOYBRMSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22Br2O/c1-10(2)5-12(7-13,8-14)9-15-6-11-3-4-11/h10-11H,3-9H2,1-2H3.
What are the key properties of [2,2-bis(bromomethyl)-4-methylpentoxy]methylcyclopropane?
[2,2-bis(bromomethyl)-4-methylpentoxy]methylcyclopropane has a molecular weight of 342.12 g/mol, XLogP of 4.24, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-bis(bromomethyl)-4-methylpentoxy]methylcyclopropane is sourced from PubChem (CID 106931452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).