ethane;4-ethenyloxane

C9H18O — CID 143725048

IUPACethane;4-ethenyloxane
SMILESC=CC1CCOCC1.CC
InChIInChI=1S/C7H12O.C2H6/c1-2-7-3-5-8-6-4-7;1-2/h2,7H,1,3-6H2;1-2H3
InChIKeyYXOQOHMAAKLHQH-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.63
Rot. Bonds1

About ethane;4-ethenyloxane

ethane;4-ethenyloxane (PubChem CID 143725048) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is ethane;4-ethenyloxane.

Molecular Properties

Compound Nameethane;4-ethenyloxane
PubChem CID143725048
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Nameethane;4-ethenyloxane
SMILESC=CC1CCOCC1.CC
InChIInChI=1S/C7H12O.C2H6/c1-2-7-3-5-8-6-4-7;1-2/h2,7H,1,3-6H2;1-2H3
InChIKeyYXOQOHMAAKLHQH-UHFFFAOYSA-N
XLogP2.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.63
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
Diallylethylether
CID 129722376
d2-Allyltetrahydro-2h-pyran
CID 129827788
5-ethoxy-1,3-bis(prop-2-enyl)-3,4-dihydro-2H-borinine
CID 134890538
4-[(E)-non-1-enyl]oxane
CID 176426755
4-Ethenyl-4-propan-2-yloxane
CID 21339067
4-Hept-1-en-4-yloxane
CID 56624761
3-Methyl-5-(3-methylpent-4-enoxy)pent-1-ene
CID 57176715

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethenyloxane?
The IUPAC name of ethane;4-ethenyloxane (CID 143725048) is ethane;4-ethenyloxane.
What is the SMILES notation for ethane;4-ethenyloxane?
The canonical SMILES for ethane;4-ethenyloxane is C=CC1CCOCC1.CC.
What is the InChIKey of ethane;4-ethenyloxane?
The InChIKey is YXOQOHMAAKLHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O.C2H6/c1-2-7-3-5-8-6-4-7;1-2/h2,7H,1,3-6H2;1-2H3.
What are the key properties of ethane;4-ethenyloxane?
ethane;4-ethenyloxane has a molecular weight of 142.24 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethenyloxane is sourced from PubChem (CID 143725048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).