5-bromo-2-methylhex-5-en-2-ol

C7H13BrO — CID 10750293

IUPAC5-bromo-2-methylhex-5-en-2-ol
SMILESC=C(Br)CCC(C)(C)O
InChIInChI=1S/C7H13BrO/c1-6(8)4-5-7(2,3)9/h9H,1,4-5H2,2-3H3
InChIKeyZBKYBHVSPLFXQA-UHFFFAOYSA-N
MW193.08 g/mol
LogP2.45
Rot. Bonds3

About 5-bromo-2-methylhex-5-en-2-ol

5-bromo-2-methylhex-5-en-2-ol (PubChem CID 10750293) has the molecular formula C7H13BrO and a molecular weight of 193.08 g/mol. Its IUPAC name is 5-bromo-2-methylhex-5-en-2-ol.

Molecular Properties

Compound Name5-bromo-2-methylhex-5-en-2-ol
PubChem CID10750293
Molecular FormulaC7H13BrO
Molecular Weight193.08 g/mol
Exact Mass192.01
IUPAC Name5-bromo-2-methylhex-5-en-2-ol
SMILESC=C(Br)CCC(C)(C)O
InChIInChI=1S/C7H13BrO/c1-6(8)4-5-7(2,3)9/h9H,1,4-5H2,2-3H3
InChIKeyZBKYBHVSPLFXQA-UHFFFAOYSA-N
XLogP2.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.08
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methylhex-5-en-2-ol?
The IUPAC name of 5-bromo-2-methylhex-5-en-2-ol (CID 10750293) is 5-bromo-2-methylhex-5-en-2-ol.
What is the SMILES notation for 5-bromo-2-methylhex-5-en-2-ol?
The canonical SMILES for 5-bromo-2-methylhex-5-en-2-ol is C=C(Br)CCC(C)(C)O.
What is the InChIKey of 5-bromo-2-methylhex-5-en-2-ol?
The InChIKey is ZBKYBHVSPLFXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BrO/c1-6(8)4-5-7(2,3)9/h9H,1,4-5H2,2-3H3.
What are the key properties of 5-bromo-2-methylhex-5-en-2-ol?
5-bromo-2-methylhex-5-en-2-ol has a molecular weight of 193.08 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methylhex-5-en-2-ol is sourced from PubChem (CID 10750293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).