(5Z,7Z)-3,4-dihydro-2H-oxocine

C7H10O — CID 22573894

IUPAC(5Z,7Z)-3,4-dihydro-2H-oxocine
SMILESC1=C\CCCO\C=C/1
InChIInChI=1S/C7H10O/c1-2-4-6-8-7-5-3-1/h1-2,4,6H,3,5,7H2/b2-1-,6-4-
InChIKeyHLYDNJXPUCNDTL-FIGGJLSXSA-N
MW110.16 g/mol
LogP1.87
Rot. Bonds

About (5Z,7Z)-3,4-dihydro-2H-oxocine

(5Z,7Z)-3,4-dihydro-2H-oxocine (PubChem CID 22573894) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is (5Z,7Z)-3,4-dihydro-2H-oxocine.

Molecular Properties

Compound Name(5Z,7Z)-3,4-dihydro-2H-oxocine
PubChem CID22573894
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name(5Z,7Z)-3,4-dihydro-2H-oxocine
SMILESC1=C\CCCO\C=C/1
InChIInChI=1S/C7H10O/c1-2-4-6-8-7-5-3-1/h1-2,4,6H,3,5,7H2/b2-1-,6-4-
InChIKeyHLYDNJXPUCNDTL-FIGGJLSXSA-N
XLogP1.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5Z,7Z)-3,4-dihydro-2H-oxocine?
The IUPAC name of (5Z,7Z)-3,4-dihydro-2H-oxocine (CID 22573894) is (5Z,7Z)-3,4-dihydro-2H-oxocine.
What is the SMILES notation for (5Z,7Z)-3,4-dihydro-2H-oxocine?
The canonical SMILES for (5Z,7Z)-3,4-dihydro-2H-oxocine is C1=C\CCCO\C=C/1.
What is the InChIKey of (5Z,7Z)-3,4-dihydro-2H-oxocine?
The InChIKey is HLYDNJXPUCNDTL-FIGGJLSXSA-N. The full InChI is InChI=1S/C7H10O/c1-2-4-6-8-7-5-3-1/h1-2,4,6H,3,5,7H2/b2-1-,6-4-.
What are the key properties of (5Z,7Z)-3,4-dihydro-2H-oxocine?
(5Z,7Z)-3,4-dihydro-2H-oxocine has a molecular weight of 110.16 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z)-3,4-dihydro-2H-oxocine is sourced from PubChem (CID 22573894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).