(7Z)-3,4,5,6-tetrahydrooxocin-2-one

C7H10O2 — CID 101144342

IUPAC(7Z)-3,4,5,6-tetrahydrooxocin-2-one
SMILESO=C1CCCC/C=C\O1
InChIInChI=1S/C7H10O2/c8-7-5-3-1-2-4-6-9-7/h4,6H,1-3,5H2/b6-4-
InChIKeyILLMONGCIGGBMN-XQRVVYSFSA-N
MW126.15 g/mol
LogP1.62
Rot. Bonds

About (7Z)-3,4,5,6-tetrahydrooxocin-2-one

(7Z)-3,4,5,6-tetrahydrooxocin-2-one (PubChem CID 101144342) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is (7Z)-3,4,5,6-tetrahydrooxocin-2-one.

Molecular Properties

Compound Name(7Z)-3,4,5,6-tetrahydrooxocin-2-one
PubChem CID101144342
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name(7Z)-3,4,5,6-tetrahydrooxocin-2-one
SMILESO=C1CCCC/C=C\O1
InChIInChI=1S/C7H10O2/c8-7-5-3-1-2-4-6-9-7/h4,6H,1-3,5H2/b6-4-
InChIKeyILLMONGCIGGBMN-XQRVVYSFSA-N
XLogP1.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 175367401
CID 175367401
(14Z)-1-oxacyclooctadec-14-ene-2,18-dione
CID 156873588
(10E)-1-oxacyclotridec-10-en-2-one
CID 14539994
(9Z)-1-oxacyclotetradec-9-en-2-one
CID 102124456
(11Z)-1-oxacyclooctadec-11-en-2-one
CID 146509910
1-oxacyclododec-9-en-2-one
CID 86140369
(10Z)-1-oxacycloheptadec-10-en-2-one
CID 5355293
1-oxacyclohexadec-10-en-2-one
CID 72833343
(17E)-1,7-dioxacycloheptacos-17-ene-8,27-dione
CID 71658007
(11E)-1-oxacyclohexadec-11-en-2-one
CID 11107424
1-oxacycloundec-8-ene-2,11-dione
CID 175246292
(7Z,11Z)-1-oxacycloheptadeca-7,11-dien-2-one
CID 171904779

Frequently Asked Questions

What is the IUPAC name of (7Z)-3,4,5,6-tetrahydrooxocin-2-one?
The IUPAC name of (7Z)-3,4,5,6-tetrahydrooxocin-2-one (CID 101144342) is (7Z)-3,4,5,6-tetrahydrooxocin-2-one.
What is the SMILES notation for (7Z)-3,4,5,6-tetrahydrooxocin-2-one?
The canonical SMILES for (7Z)-3,4,5,6-tetrahydrooxocin-2-one is O=C1CCCC/C=C\O1.
What is the InChIKey of (7Z)-3,4,5,6-tetrahydrooxocin-2-one?
The InChIKey is ILLMONGCIGGBMN-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H10O2/c8-7-5-3-1-2-4-6-9-7/h4,6H,1-3,5H2/b6-4-.
What are the key properties of (7Z)-3,4,5,6-tetrahydrooxocin-2-one?
(7Z)-3,4,5,6-tetrahydrooxocin-2-one has a molecular weight of 126.15 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-3,4,5,6-tetrahydrooxocin-2-one is sourced from PubChem (CID 101144342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).