ethane;3-prop-2-enyloxolane

C9H18O — CID 144826356

IUPACethane;3-prop-2-enyloxolane
SMILESC=CCC1CCOC1.CC
InChIInChI=1S/C7H12O.C2H6/c1-2-3-7-4-5-8-6-7;1-2/h2,7H,1,3-6H2;1-2H3
InChIKeyQNMISJKNYSYWND-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.63
Rot. Bonds2

About ethane;3-prop-2-enyloxolane

ethane;3-prop-2-enyloxolane (PubChem CID 144826356) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is ethane;3-prop-2-enyloxolane.

Molecular Properties

Compound Nameethane;3-prop-2-enyloxolane
PubChem CID144826356
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Nameethane;3-prop-2-enyloxolane
SMILESC=CCC1CCOC1.CC
InChIInChI=1S/C7H12O.C2H6/c1-2-3-7-4-5-8-6-7;1-2/h2,7H,1,3-6H2;1-2H3
InChIKeyQNMISJKNYSYWND-UHFFFAOYSA-N
XLogP2.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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

Diallylethylether
CID 129722376
(3R,4S)-3-ethenyl-3-methyl-4-prop-1-en-2-yloxolane
CID 14106817
(2R,3S)-3-ethenyl-2-methyloxolane
CID 134993235
3-Prop-2-enyloxolane
CID 22481091
Hept-6-enoxymethylcyclopentane
CID 53248073
3-Methyl-5-(3-methylpent-4-enoxy)pent-1-ene
CID 57176715
4-Methyl-5-(2-methylpent-4-enoxy)pent-1-ene
CID 57217751
4-[2-(3-Prop-2-enylhex-5-enoxy)ethyl]hepta-1,6-diene
CID 57284381
Hex-1-ene;oxolane
CID 67614657
3-methyl-3-[(Z)-5-methylhex-2-enyl]oxolane
CID 67952228
3-Prop-2-enyl-3-propyloxolane
CID 68879420
3-Ethenyl-2-methyloxolane
CID 69533067

Frequently Asked Questions

What is the IUPAC name of ethane;3-prop-2-enyloxolane?
The IUPAC name of ethane;3-prop-2-enyloxolane (CID 144826356) is ethane;3-prop-2-enyloxolane.
What is the SMILES notation for ethane;3-prop-2-enyloxolane?
The canonical SMILES for ethane;3-prop-2-enyloxolane is C=CCC1CCOC1.CC.
What is the InChIKey of ethane;3-prop-2-enyloxolane?
The InChIKey is QNMISJKNYSYWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O.C2H6/c1-2-3-7-4-5-8-6-7;1-2/h2,7H,1,3-6H2;1-2H3.
What are the key properties of ethane;3-prop-2-enyloxolane?
ethane;3-prop-2-enyloxolane has a molecular weight of 142.24 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-prop-2-enyloxolane is sourced from PubChem (CID 144826356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).