4-bromo-2-methylidenepent-4-en-1-ol

C6H9BrO — CID 10773631

IUPAC4-bromo-2-methylidenepent-4-en-1-ol
SMILESC=C(Br)CC(=C)CO
InChIInChI=1S/C6H9BrO/c1-5(4-8)3-6(2)7/h8H,1-4H2
InChIKeyBTUZRWHOTXWUGM-UHFFFAOYSA-N
MW177.04 g/mol
LogP1.83
Rot. Bonds3

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

4-bromo-2-methylidenepent-4-en-1-ol (PubChem CID 10773631) has the molecular formula C6H9BrO and a molecular weight of 177.04 g/mol. Its IUPAC name is 4-bromo-2-methylidenepent-4-en-1-ol.

Molecular Properties

Compound Name4-bromo-2-methylidenepent-4-en-1-ol
PubChem CID10773631
Molecular FormulaC6H9BrO
Molecular Weight177.04 g/mol
Exact Mass175.98
IUPAC Name4-bromo-2-methylidenepent-4-en-1-ol
SMILESC=C(Br)CC(=C)CO
InChIInChI=1S/C6H9BrO/c1-5(4-8)3-6(2)7/h8H,1-4H2
InChIKeyBTUZRWHOTXWUGM-UHFFFAOYSA-N
XLogP1.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.04
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methylidenepent-4-en-1-ol?
The IUPAC name of 4-bromo-2-methylidenepent-4-en-1-ol (CID 10773631) is 4-bromo-2-methylidenepent-4-en-1-ol.
What is the SMILES notation for 4-bromo-2-methylidenepent-4-en-1-ol?
The canonical SMILES for 4-bromo-2-methylidenepent-4-en-1-ol is C=C(Br)CC(=C)CO.
What is the InChIKey of 4-bromo-2-methylidenepent-4-en-1-ol?
The InChIKey is BTUZRWHOTXWUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrO/c1-5(4-8)3-6(2)7/h8H,1-4H2.
What are the key properties of 4-bromo-2-methylidenepent-4-en-1-ol?
4-bromo-2-methylidenepent-4-en-1-ol has a molecular weight of 177.04 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methylidenepent-4-en-1-ol is sourced from PubChem (CID 10773631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).