6-bromo-1-ethoxy-4,4-dimethylheptane

C11H23BrO — CID 65177799

IUPAC6-bromo-1-ethoxy-4,4-dimethylheptane
SMILESCCOCCCC(C)(C)CC(C)Br
InChIInChI=1S/C11H23BrO/c1-5-13-8-6-7-11(3,4)9-10(2)12/h10H,5-9H2,1-4H3
InChIKeyVQPXWEAGYPILGS-UHFFFAOYSA-N
MW251.21 g/mol
LogP4.00
Rot. Bonds7

About 6-bromo-1-ethoxy-4,4-dimethylheptane

6-bromo-1-ethoxy-4,4-dimethylheptane (PubChem CID 65177799) has the molecular formula C11H23BrO and a molecular weight of 251.21 g/mol. Its IUPAC name is 6-bromo-1-ethoxy-4,4-dimethylheptane.

Molecular Properties

Compound Name6-bromo-1-ethoxy-4,4-dimethylheptane
PubChem CID65177799
Molecular FormulaC11H23BrO
Molecular Weight251.21 g/mol
Exact Mass250.09
IUPAC Name6-bromo-1-ethoxy-4,4-dimethylheptane
SMILESCCOCCCC(C)(C)CC(C)Br
InChIInChI=1S/C11H23BrO/c1-5-13-8-6-7-11(3,4)9-10(2)12/h10H,5-9H2,1-4H3
InChIKeyVQPXWEAGYPILGS-UHFFFAOYSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 54.00
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

7-ethoxy-4,4-dimethylheptan-2-amine
CID 65177905
1-ethoxy-4,4-dimethylhexane
CID 89037329
4-bromo-1-(2-ethoxyethoxy)pentane
CID 54122384
6-ethoxy-2,2-dimethylhexan-1-amine
CID 106708552
5-ethoxy-N,2-dimethylpentan-2-amine
CID 135220051
1-ethoxy-6,6-dimethylheptane
CID 58021102
1-ethoxy-10,10-dimethylundecane
CID 150524219
3-(bromomethyl)-1-ethoxy-3,4-dimethylpentane
CID 83153665
5-ethoxy-2-ethyl-2-methylpentan-1-ol
CID 66059379
2-(aminomethyl)-2-(3-ethoxypropyl)-4-methylpentan-1-ol
CID 106507842
5-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine
CID 79570397
5-ethoxy-2-methyl-2-propylpentan-1-ol
CID 66026142

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-ethoxy-4,4-dimethylheptane?
The IUPAC name of 6-bromo-1-ethoxy-4,4-dimethylheptane (CID 65177799) is 6-bromo-1-ethoxy-4,4-dimethylheptane.
What is the SMILES notation for 6-bromo-1-ethoxy-4,4-dimethylheptane?
The canonical SMILES for 6-bromo-1-ethoxy-4,4-dimethylheptane is CCOCCCC(C)(C)CC(C)Br.
What is the InChIKey of 6-bromo-1-ethoxy-4,4-dimethylheptane?
The InChIKey is VQPXWEAGYPILGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23BrO/c1-5-13-8-6-7-11(3,4)9-10(2)12/h10H,5-9H2,1-4H3.
What are the key properties of 6-bromo-1-ethoxy-4,4-dimethylheptane?
6-bromo-1-ethoxy-4,4-dimethylheptane has a molecular weight of 251.21 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-ethoxy-4,4-dimethylheptane is sourced from PubChem (CID 65177799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).