4-but-1-enyloxane

C9H16O — CID 76623256

IUPAC4-but-1-enyloxane
SMILESCCC=CC1CCOCC1
InChIInChI=1S/C9H16O/c1-2-3-4-9-5-7-10-8-6-9/h3-4,9H,2,5-8H2,1H3
InChIKeyODBYBMNTVVMURR-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.38
Rot. Bonds2

About 4-but-1-enyloxane

4-but-1-enyloxane (PubChem CID 76623256) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 4-but-1-enyloxane.

Molecular Properties

Compound Name4-but-1-enyloxane
PubChem CID76623256
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name4-but-1-enyloxane
SMILESCCC=CC1CCOCC1
InChIInChI=1S/C9H16O/c1-2-3-4-9-5-7-10-8-6-9/h3-4,9H,2,5-8H2,1H3
InChIKeyODBYBMNTVVMURR-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
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-(Methoxymethyl)cyclohexene
CID 22507470
4-[(E)-3-fluoroprop-1-enyl]oxane
CID 135064441
4-[(E)-prop-1-enyl]oxane
CID 21691514
4-(Ethoxymethyl)cyclohexene
CID 85982053
4-(2-Methoxyethyl)cyclopentene
CID 118394373
(E)-4-(3,3-dimethylbut-1-en-1-yl)tetrahydro-2H-pyran
CID 126642344
4-(Cyclohex-3-en-1-ylmethoxymethyl)cyclohexene
CID 57199870
((E)-4-(dodeca-1,11-dien-1-yl)tetrahydro-2H-pyran
CID 169432355
(E)-4-(2-cyclohexylvinyl)tetrahydro-2H-pyran
CID 169432357
4-[(E)-non-1-enyl]oxane
CID 176426755
4-(1-Methoxyethyl)cyclohexene
CID 11423644
(E)-7-butoxy-2,6-dimethylhept-3-ene
CID 20349056

Frequently Asked Questions

What is the IUPAC name of 4-but-1-enyloxane?
The IUPAC name of 4-but-1-enyloxane (CID 76623256) is 4-but-1-enyloxane.
What is the SMILES notation for 4-but-1-enyloxane?
The canonical SMILES for 4-but-1-enyloxane is CCC=CC1CCOCC1.
What is the InChIKey of 4-but-1-enyloxane?
The InChIKey is ODBYBMNTVVMURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-2-3-4-9-5-7-10-8-6-9/h3-4,9H,2,5-8H2,1H3.
What are the key properties of 4-but-1-enyloxane?
4-but-1-enyloxane has a molecular weight of 140.23 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-1-enyloxane is sourced from PubChem (CID 76623256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).