(4Z)-8-hydroxycyclooct-4-en-1-one

C8H12O2 — CID 5381495

IUPAC(4Z)-8-hydroxycyclooct-4-en-1-one
SMILESO=C1CC/C=C\CCC1O
InChIInChI=1S/C8H12O2/c9-7-5-3-1-2-4-6-8(7)10/h1-2,7,9H,3-6H2/b2-1-
InChIKeyHSFVDEUFKLSKSB-UPHRSURJSA-N
MW140.18 g/mol
LogP1.05
Rot. Bonds

About (4Z)-8-hydroxycyclooct-4-en-1-one

(4Z)-8-hydroxycyclooct-4-en-1-one (PubChem CID 5381495) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (4Z)-8-hydroxycyclooct-4-en-1-one.

Molecular Properties

Compound Name(4Z)-8-hydroxycyclooct-4-en-1-one
PubChem CID5381495
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(4Z)-8-hydroxycyclooct-4-en-1-one
SMILESO=C1CC/C=C\CCC1O
InChIInChI=1S/C8H12O2/c9-7-5-3-1-2-4-6-8(7)10/h1-2,7,9H,3-6H2/b2-1-
InChIKeyHSFVDEUFKLSKSB-UPHRSURJSA-N
XLogP1.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (4Z)-8-hydroxycyclooct-4-en-1-one?
The IUPAC name of (4Z)-8-hydroxycyclooct-4-en-1-one (CID 5381495) is (4Z)-8-hydroxycyclooct-4-en-1-one.
What is the SMILES notation for (4Z)-8-hydroxycyclooct-4-en-1-one?
The canonical SMILES for (4Z)-8-hydroxycyclooct-4-en-1-one is O=C1CC/C=C\CCC1O.
What is the InChIKey of (4Z)-8-hydroxycyclooct-4-en-1-one?
The InChIKey is HSFVDEUFKLSKSB-UPHRSURJSA-N. The full InChI is InChI=1S/C8H12O2/c9-7-5-3-1-2-4-6-8(7)10/h1-2,7,9H,3-6H2/b2-1-.
What are the key properties of (4Z)-8-hydroxycyclooct-4-en-1-one?
(4Z)-8-hydroxycyclooct-4-en-1-one has a molecular weight of 140.18 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-8-hydroxycyclooct-4-en-1-one is sourced from PubChem (CID 5381495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).