(Z)-6-bromo-7-hydroxyhept-5-en-2-one

C7H11BrO2 — CID 101333054

IUPAC(Z)-6-bromo-7-hydroxyhept-5-en-2-one
SMILESCC(=O)CC/C=C(\Br)CO
InChIInChI=1S/C7H11BrO2/c1-6(10)3-2-4-7(8)5-9/h4,9H,2-3,5H2,1H3/b7-4-
InChIKeyVPUMXRZEXQFVPS-DAXSKMNVSA-N
MW207.07 g/mol
LogP1.63
Rot. Bonds4

About (Z)-6-bromo-7-hydroxyhept-5-en-2-one

(Z)-6-bromo-7-hydroxyhept-5-en-2-one (PubChem CID 101333054) has the molecular formula C7H11BrO2 and a molecular weight of 207.07 g/mol. Its IUPAC name is (Z)-6-bromo-7-hydroxyhept-5-en-2-one.

Molecular Properties

Compound Name(Z)-6-bromo-7-hydroxyhept-5-en-2-one
PubChem CID101333054
Molecular FormulaC7H11BrO2
Molecular Weight207.07 g/mol
Exact Mass205.99
IUPAC Name(Z)-6-bromo-7-hydroxyhept-5-en-2-one
SMILESCC(=O)CC/C=C(\Br)CO
InChIInChI=1S/C7H11BrO2/c1-6(10)3-2-4-7(8)5-9/h4,9H,2-3,5H2,1H3/b7-4-
InChIKeyVPUMXRZEXQFVPS-DAXSKMNVSA-N
XLogP1.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.07
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-6-bromo-7-hydroxyhept-5-en-2-one?
The IUPAC name of (Z)-6-bromo-7-hydroxyhept-5-en-2-one (CID 101333054) is (Z)-6-bromo-7-hydroxyhept-5-en-2-one.
What is the SMILES notation for (Z)-6-bromo-7-hydroxyhept-5-en-2-one?
The canonical SMILES for (Z)-6-bromo-7-hydroxyhept-5-en-2-one is CC(=O)CC/C=C(\Br)CO.
What is the InChIKey of (Z)-6-bromo-7-hydroxyhept-5-en-2-one?
The InChIKey is VPUMXRZEXQFVPS-DAXSKMNVSA-N. The full InChI is InChI=1S/C7H11BrO2/c1-6(10)3-2-4-7(8)5-9/h4,9H,2-3,5H2,1H3/b7-4-.
What are the key properties of (Z)-6-bromo-7-hydroxyhept-5-en-2-one?
(Z)-6-bromo-7-hydroxyhept-5-en-2-one has a molecular weight of 207.07 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-bromo-7-hydroxyhept-5-en-2-one is sourced from PubChem (CID 101333054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).