4-but-3-en-2-yloxane

C9H16O — CID 142887927

IUPAC4-but-3-en-2-yloxane
SMILESC=CC(C)C1CCOCC1
InChIInChI=1S/C9H16O/c1-3-8(2)9-4-6-10-7-5-9/h3,8-9H,1,4-7H2,2H3
InChIKeyBVKMACJOKXBHRT-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.24
Rot. Bonds2

About 4-but-3-en-2-yloxane

4-but-3-en-2-yloxane (PubChem CID 142887927) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 4-but-3-en-2-yloxane.

Molecular Properties

Compound Name4-but-3-en-2-yloxane
PubChem CID142887927
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name4-but-3-en-2-yloxane
SMILESC=CC(C)C1CCOCC1
InChIInChI=1S/C9H16O/c1-3-8(2)9-4-6-10-7-5-9/h3,8-9H,1,4-7H2,2H3
InChIKeyBVKMACJOKXBHRT-UHFFFAOYSA-N
XLogP2.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Ethenyloxane
CID 12411805
4-[(1S)-1-fluoroprop-2-enyl]oxane
CID 135080502
4-[(E)-prop-1-enyl]oxane
CID 21691514
4-(Ethoxymethyl)cyclohexene
CID 85982053
(E)-4-(3,3-dimethylbut-1-en-1-yl)tetrahydro-2H-pyran
CID 126642344
d2-Allyltetrahydro-2h-pyran
CID 129827788
7-Ethoxy-6-methylhept-1-ene
CID 17825061
7-Butoxy-6-methylhept-1-ene
CID 17825153
4-Ethenyl-4-propan-2-yloxane
CID 21339067
4-tert-butyl-3,4-dihydro-2H-pyran
CID 21763337
4-Methyl-5-(propoxymethyl)cyclohexene
CID 21996722
4-(Hexoxymethyl)-5-methylcyclohexene
CID 22222986

Frequently Asked Questions

What is the IUPAC name of 4-but-3-en-2-yloxane?
The IUPAC name of 4-but-3-en-2-yloxane (CID 142887927) is 4-but-3-en-2-yloxane.
What is the SMILES notation for 4-but-3-en-2-yloxane?
The canonical SMILES for 4-but-3-en-2-yloxane is C=CC(C)C1CCOCC1.
What is the InChIKey of 4-but-3-en-2-yloxane?
The InChIKey is BVKMACJOKXBHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-3-8(2)9-4-6-10-7-5-9/h3,8-9H,1,4-7H2,2H3.
What are the key properties of 4-but-3-en-2-yloxane?
4-but-3-en-2-yloxane has a molecular weight of 140.23 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-en-2-yloxane is sourced from PubChem (CID 142887927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).