2-bromo-4-methyloct-1-en-4-ol

C9H17BrO — CID 15751849

IUPAC2-bromo-4-methyloct-1-en-4-ol
SMILESC=C(Br)CC(C)(O)CCCC
InChIInChI=1S/C9H17BrO/c1-4-5-6-9(3,11)7-8(2)10/h11H,2,4-7H2,1,3H3
InChIKeyIZFOKWBBHDRABY-UHFFFAOYSA-N
MW221.14 g/mol
LogP3.23
Rot. Bonds5

About 2-bromo-4-methyloct-1-en-4-ol

2-bromo-4-methyloct-1-en-4-ol (PubChem CID 15751849) has the molecular formula C9H17BrO and a molecular weight of 221.14 g/mol. Its IUPAC name is 2-bromo-4-methyloct-1-en-4-ol.

Molecular Properties

Compound Name2-bromo-4-methyloct-1-en-4-ol
PubChem CID15751849
Molecular FormulaC9H17BrO
Molecular Weight221.14 g/mol
Exact Mass220.05
IUPAC Name2-bromo-4-methyloct-1-en-4-ol
SMILESC=C(Br)CC(C)(O)CCCC
InChIInChI=1S/C9H17BrO/c1-4-5-6-9(3,11)7-8(2)10/h11H,2,4-7H2,1,3H3
InChIKeyIZFOKWBBHDRABY-UHFFFAOYSA-N
XLogP3.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.14
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methyloct-1-en-4-ol?
The IUPAC name of 2-bromo-4-methyloct-1-en-4-ol (CID 15751849) is 2-bromo-4-methyloct-1-en-4-ol.
What is the SMILES notation for 2-bromo-4-methyloct-1-en-4-ol?
The canonical SMILES for 2-bromo-4-methyloct-1-en-4-ol is C=C(Br)CC(C)(O)CCCC.
What is the InChIKey of 2-bromo-4-methyloct-1-en-4-ol?
The InChIKey is IZFOKWBBHDRABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BrO/c1-4-5-6-9(3,11)7-8(2)10/h11H,2,4-7H2,1,3H3.
What are the key properties of 2-bromo-4-methyloct-1-en-4-ol?
2-bromo-4-methyloct-1-en-4-ol has a molecular weight of 221.14 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methyloct-1-en-4-ol is sourced from PubChem (CID 15751849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).