3-(bromomethyl)-1-ethoxy-3,4-dimethylpentane

C10H21BrO — CID 83153665

IUPAC3-(bromomethyl)-1-ethoxy-3,4-dimethylpentane
SMILESCCOCCC(C)(CBr)C(C)C
InChIInChI=1S/C10H21BrO/c1-5-12-7-6-10(4,8-11)9(2)3/h9H,5-8H2,1-4H3
InChIKeyQAMWOIBYMFNHFV-UHFFFAOYSA-N
MW237.18 g/mol
LogP3.47
Rot. Bonds6

About 3-(bromomethyl)-1-ethoxy-3,4-dimethylpentane

3-(bromomethyl)-1-ethoxy-3,4-dimethylpentane (PubChem CID 83153665) has the molecular formula C10H21BrO and a molecular weight of 237.18 g/mol. Its IUPAC name is 3-(bromomethyl)-1-ethoxy-3,4-dimethylpentane.

Molecular Properties

Compound Name3-(bromomethyl)-1-ethoxy-3,4-dimethylpentane
PubChem CID83153665
Molecular FormulaC10H21BrO
Molecular Weight237.18 g/mol
Exact Mass236.08
IUPAC Name3-(bromomethyl)-1-ethoxy-3,4-dimethylpentane
SMILESCCOCCC(C)(CBr)C(C)C
InChIInChI=1S/C10H21BrO/c1-5-12-7-6-10(4,8-11)9(2)3/h9H,5-8H2,1-4H3
InChIKeyQAMWOIBYMFNHFV-UHFFFAOYSA-N
XLogP3.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 53.47
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-(bromomethyl)-1-[2-(2-methoxyethoxy)ethoxy]-3,4-dimethylpentane
CID 104568791
1-ethoxy-3-ethyl-3,4-dimethylhexane
CID 90857890
1-bromo-4-[3-(bromomethyl)-3,4-dimethylpentoxy]benzene
CID 83152114
3-(chloromethyl)-3,4-dimethyl-1-(3-methylbutoxy)pentane
CID 83152572
4-ethoxy-2-methylbutane-2-thiol
CID 11643948
1,5-diethoxy-3-methylpentan-3-amine
CID 91552736
N-tert-butyl-2,3-dimethyl-2-[2-(2-methylpropoxy)ethyl]butan-1-amine
CID 106457269
5-ethoxy-2,3,3-trimethyl-N-propan-2-ylpentan-2-amine
CID 176679059
6-bromo-1-ethoxy-4,4-dimethylheptane
CID 65177799
4-ethoxy-N,N-diethyl-2,2-dimethylbutan-1-amine
CID 160537822
ethane;2-ethoxy-2,3-dimethylbutane
CID 169190788
4-(bromomethyl)-2,2-difluoro-4,5-dimethylhexane
CID 165446111

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-1-ethoxy-3,4-dimethylpentane?
The IUPAC name of 3-(bromomethyl)-1-ethoxy-3,4-dimethylpentane (CID 83153665) is 3-(bromomethyl)-1-ethoxy-3,4-dimethylpentane.
What is the SMILES notation for 3-(bromomethyl)-1-ethoxy-3,4-dimethylpentane?
The canonical SMILES for 3-(bromomethyl)-1-ethoxy-3,4-dimethylpentane is CCOCCC(C)(CBr)C(C)C.
What is the InChIKey of 3-(bromomethyl)-1-ethoxy-3,4-dimethylpentane?
The InChIKey is QAMWOIBYMFNHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BrO/c1-5-12-7-6-10(4,8-11)9(2)3/h9H,5-8H2,1-4H3.
What are the key properties of 3-(bromomethyl)-1-ethoxy-3,4-dimethylpentane?
3-(bromomethyl)-1-ethoxy-3,4-dimethylpentane has a molecular weight of 237.18 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-1-ethoxy-3,4-dimethylpentane is sourced from PubChem (CID 83153665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).