3,8-dihydro-2H-oxocine

C7H10O — CID 91329391

IUPAC3,8-dihydro-2H-oxocine
SMILESC1=CCCOCC=C1
InChIInChI=1S/C7H10O/c1-2-4-6-8-7-5-3-1/h1-4H,5-7H2
InChIKeyHNDINZXYNQPUKV-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.52
Rot. Bonds

About 3,8-dihydro-2H-oxocine

3,8-dihydro-2H-oxocine (PubChem CID 91329391) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 3,8-dihydro-2H-oxocine.

Molecular Properties

Compound Name3,8-dihydro-2H-oxocine
PubChem CID91329391
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name3,8-dihydro-2H-oxocine
SMILESC1=CCCOCC=C1
InChIInChI=1S/C7H10O/c1-2-4-6-8-7-5-3-1/h1-4H,5-7H2
InChIKeyHNDINZXYNQPUKV-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,6-Dihydro-2H-pyran
CID 520540
(Methoxymethyl)cyclooctatetraene
CID 5370610
(Z)-1-ethoxypent-2-ene
CID 57903308
3,6-dihydro-2H-pyran-2-ylium
CID 90854093
Methoxymethylcyclooctatetraene
CID 576036
(E)-1-ethoxypent-2-ene
CID 12398931
2,3,4,5,6-pentadeuterio-3,6-dihydro-2H-pyran
CID 18664105
6-Methylidene-2,3-dihydropyran
CID 20697237
1-Ethoxypent-2-ene
CID 53712197
5-methylidene-2H-pyran
CID 57031835
(6Z)-5,8-dihydro-2H-oxocine
CID 69810333
5,8-dihydro-2H-oxocine
CID 69810334

Frequently Asked Questions

What is the IUPAC name of 3,8-dihydro-2H-oxocine?
The IUPAC name of 3,8-dihydro-2H-oxocine (CID 91329391) is 3,8-dihydro-2H-oxocine.
What is the SMILES notation for 3,8-dihydro-2H-oxocine?
The canonical SMILES for 3,8-dihydro-2H-oxocine is C1=CCCOCC=C1.
What is the InChIKey of 3,8-dihydro-2H-oxocine?
The InChIKey is HNDINZXYNQPUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-2-4-6-8-7-5-3-1/h1-4H,5-7H2.
What are the key properties of 3,8-dihydro-2H-oxocine?
3,8-dihydro-2H-oxocine has a molecular weight of 110.16 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dihydro-2H-oxocine is sourced from PubChem (CID 91329391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).