1-bromo-5-ethoxy-2,3,3-trimethylhexane

C11H23BrO — CID 88929409

IUPAC1-bromo-5-ethoxy-2,3,3-trimethylhexane
SMILESCCOC(C)CC(C)(C)C(C)CBr
InChIInChI=1S/C11H23BrO/c1-6-13-10(3)7-11(4,5)9(2)8-12/h9-10H,6-8H2,1-5H3
InChIKeyLUZLPPPASAVVPG-UHFFFAOYSA-N
MW251.21 g/mol
LogP3.86
Rot. Bonds6

About 1-bromo-5-ethoxy-2,3,3-trimethylhexane

1-bromo-5-ethoxy-2,3,3-trimethylhexane (PubChem CID 88929409) has the molecular formula C11H23BrO and a molecular weight of 251.21 g/mol. Its IUPAC name is 1-bromo-5-ethoxy-2,3,3-trimethylhexane.

Molecular Properties

Compound Name1-bromo-5-ethoxy-2,3,3-trimethylhexane
PubChem CID88929409
Molecular FormulaC11H23BrO
Molecular Weight251.21 g/mol
Exact Mass250.09
IUPAC Name1-bromo-5-ethoxy-2,3,3-trimethylhexane
SMILESCCOC(C)CC(C)(C)C(C)CBr
InChIInChI=1S/C11H23BrO/c1-6-13-10(3)7-11(4,5)9(2)8-12/h9-10H,6-8H2,1-5H3
InChIKeyLUZLPPPASAVVPG-UHFFFAOYSA-N
XLogP3.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(1-Bromo-2-methylpropan-2-yl)oxane
CID 165474778
4-(1-Bromo-2-methylpropan-2-yl)oxane
CID 122240129
4-Bromo-2-fluoro-5-methoxy-2,3-dimethylhexane
CID 138532207
2-Bromo-3,4,5,6-tetramethyloxane
CID 20588382
1-Bromo-5-isopropoxy-3-methyl-pentane
CID 21515698
1-Bromo-5-sec-butoxy-3-methyl-pentane
CID 21515713
6-Bromo-3-methyl-1-propan-2-yloxyhexane
CID 21561551
(3S,5R)-2-bromo-5-ethyl-3,4-dimethyloxolane
CID 57809648
2-Bromo-5-ethyl-3,4-dimethyloxolane
CID 59075061
(4R,5R)-2-bromo-5-ethyl-3,4-dimethyloxolane
CID 59426770
(2S,5R)-2-bromo-4,5-diethyl-3-methyloxolane
CID 59892704
(2S,5R)-2-bromo-3,4,5,6-tetramethyloxane
CID 59973681

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-ethoxy-2,3,3-trimethylhexane?
The IUPAC name of 1-bromo-5-ethoxy-2,3,3-trimethylhexane (CID 88929409) is 1-bromo-5-ethoxy-2,3,3-trimethylhexane.
What is the SMILES notation for 1-bromo-5-ethoxy-2,3,3-trimethylhexane?
The canonical SMILES for 1-bromo-5-ethoxy-2,3,3-trimethylhexane is CCOC(C)CC(C)(C)C(C)CBr.
What is the InChIKey of 1-bromo-5-ethoxy-2,3,3-trimethylhexane?
The InChIKey is LUZLPPPASAVVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23BrO/c1-6-13-10(3)7-11(4,5)9(2)8-12/h9-10H,6-8H2,1-5H3.
What are the key properties of 1-bromo-5-ethoxy-2,3,3-trimethylhexane?
1-bromo-5-ethoxy-2,3,3-trimethylhexane has a molecular weight of 251.21 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-ethoxy-2,3,3-trimethylhexane is sourced from PubChem (CID 88929409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).