4-prop-2-enylideneoxane

C8H11O- — CID 59255538

IUPAC4-prop-2-enylideneoxane
SMILES[H]/[C-]=C/C=C1CCOCC1
InChIInChI=1S/C8H11O/c1-2-3-8-4-6-9-7-5-8/h1-3H,4-7H2/q-1
InChIKeyMCDHJOXEIIGBQR-UHFFFAOYSA-N
MW123.17 g/mol
LogP1.71
Rot. Bonds1

About 4-prop-2-enylideneoxane

4-prop-2-enylideneoxane (PubChem CID 59255538) has the molecular formula C8H11O- and a molecular weight of 123.17 g/mol. Its IUPAC name is 4-prop-2-enylideneoxane.

Molecular Properties

Compound Name4-prop-2-enylideneoxane
PubChem CID59255538
Molecular FormulaC8H11O-
Molecular Weight123.17 g/mol
Exact Mass123.08
IUPAC Name4-prop-2-enylideneoxane
SMILES[H]/[C-]=C/C=C1CCOCC1
InChIInChI=1S/C8H11O/c1-2-3-8-4-6-9-7-5-8/h1-3H,4-7H2/q-1
InChIKeyMCDHJOXEIIGBQR-UHFFFAOYSA-N
XLogP1.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.17
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-Methoxyethylcyclopentadiene
CID 10896855
(4E)-3-methyl-4-(phenylmethylidene)oxane;yttrium
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CID 14290332
2-(3-Methoxypropyl)cyclohexa-1,3-diene
CID 14290347
2-(2-Ethoxyethyl)cyclohexa-1,3-diene
CID 22312170
4-Ethylidenetetrahydro-2h-pyran
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4-Butylideneoxane
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4-[(4-Fluorobenzene-5-id-1-yl)methylidene]oxane;yttrium
CID 59061887
4-Prop-2-enylideneoxane
CID 59255539
4-[(3,4-Difluorobenzene-5-id-1-yl)methylidene]oxane;yttrium
CID 60070245
4-(2-Methylpropylidene)oxane
CID 89667978
1-(2-Ethenoxyethyl)cyclopenta-1,3-diene
CID 90224031

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enylideneoxane?
The IUPAC name of 4-prop-2-enylideneoxane (CID 59255538) is 4-prop-2-enylideneoxane.
What is the SMILES notation for 4-prop-2-enylideneoxane?
The canonical SMILES for 4-prop-2-enylideneoxane is [H]/[C-]=C/C=C1CCOCC1.
What is the InChIKey of 4-prop-2-enylideneoxane?
The InChIKey is MCDHJOXEIIGBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O/c1-2-3-8-4-6-9-7-5-8/h1-3H,4-7H2/q-1.
What are the key properties of 4-prop-2-enylideneoxane?
4-prop-2-enylideneoxane has a molecular weight of 123.17 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enylideneoxane is sourced from PubChem (CID 59255538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).