(6Z)-6-benzylideneoxan-2-one

C12H12O2 — CID 101488172

IUPAC(6Z)-6-benzylideneoxan-2-one
SMILESO=C1CCC/C(=C/c2ccccc2)O1
InChIInChI=1S/C12H12O2/c13-12-8-4-7-11(14-12)9-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2/b11-9-
InChIKeyRAKDLOKAEGJUFA-LUAWRHEFSA-N
MW188.23 g/mol
LogP2.75
Rot. Bonds1

About (6Z)-6-benzylideneoxan-2-one

(6Z)-6-benzylideneoxan-2-one (PubChem CID 101488172) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is (6Z)-6-benzylideneoxan-2-one.

Molecular Properties

Compound Name(6Z)-6-benzylideneoxan-2-one
PubChem CID101488172
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name(6Z)-6-benzylideneoxan-2-one
SMILESO=C1CCC/C(=C/c2ccccc2)O1
InChIInChI=1S/C12H12O2/c13-12-8-4-7-11(14-12)9-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2/b11-9-
InChIKeyRAKDLOKAEGJUFA-LUAWRHEFSA-N
XLogP2.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(2-hydroxyphenyl)methylidene]oxan-2-one
CID 91096607
(8E)-8-[(4-methoxyphenyl)methylidene]oxocan-2-one
CID 10243649
(6E)-6-benzylidene-3-methyloxan-2-one
CID 139265388
(6E)-2,6-dibenzylidenecyclohexan-1-one
CID 1240877
(5E)-5-[(4-methoxyphenyl)methylidene]oxolan-2-one
CID 15722634
(2E)-2-benzylidene-1,3-oxazolidin-5-one
CID 70400530
(2,6-13C2)oxane-2,6-dione
CID 45039353
(2E,8E)-2,8-dibenzylidenecyclooctan-1-one
CID 6439695
2-benzylidenecyclobutan-1-one
CID 73042587
[(E)-[(2E)-2-[(2E)-2-benzylidenecyclopentylidene]cyclopentylidene]methyl]benzene
CID 102353604
(2E,6E)-2-benzylidene-6-[[4-(dimethylamino)phenyl]methylidene]cyclohexan-1-one
CID 2313555
benzoyl benzoate;oxane-2,6-dione;oxolane-2,5-dione
CID 162105428

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-benzylideneoxan-2-one?
The IUPAC name of (6Z)-6-benzylideneoxan-2-one (CID 101488172) is (6Z)-6-benzylideneoxan-2-one.
What is the SMILES notation for (6Z)-6-benzylideneoxan-2-one?
The canonical SMILES for (6Z)-6-benzylideneoxan-2-one is O=C1CCC/C(=C/c2ccccc2)O1.
What is the InChIKey of (6Z)-6-benzylideneoxan-2-one?
The InChIKey is RAKDLOKAEGJUFA-LUAWRHEFSA-N. The full InChI is InChI=1S/C12H12O2/c13-12-8-4-7-11(14-12)9-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2/b11-9-.
What are the key properties of (6Z)-6-benzylideneoxan-2-one?
(6Z)-6-benzylideneoxan-2-one has a molecular weight of 188.23 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-benzylideneoxan-2-one is sourced from PubChem (CID 101488172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).