2,2-bis(prop-2-enyl)oxane

C11H18O — CID 14242121

IUPAC2,2-bis(prop-2-enyl)oxane
SMILESC=CCC1(CC=C)CCCCO1
InChIInChI=1S/C11H18O/c1-3-7-11(8-4-2)9-5-6-10-12-11/h3-4H,1-2,5-10H2
InChIKeyNJLYDSSGHCOIKA-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.08
Rot. Bonds4

About 2,2-bis(prop-2-enyl)oxane

2,2-bis(prop-2-enyl)oxane (PubChem CID 14242121) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2,2-bis(prop-2-enyl)oxane.

Molecular Properties

Compound Name2,2-bis(prop-2-enyl)oxane
PubChem CID14242121
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2,2-bis(prop-2-enyl)oxane
SMILESC=CCC1(CC=C)CCCCO1
InChIInChI=1S/C11H18O/c1-3-7-11(8-4-2)9-5-6-10-12-11/h3-4H,1-2,5-10H2
InChIKeyNJLYDSSGHCOIKA-UHFFFAOYSA-N
XLogP3.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.08
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

1-Oxaspiro[5.5]undecane, 4-methylene-
CID 10899059
2,2-Dimethyl-5-(prop-1-en-2-yl)oxane
CID 71429158
1-Hexoxy-1-prop-2-enylcyclohexane
CID 15174031
2,2,6-Trimethyl-6-prop-2-enyloxane
CID 44604860
(2R,3S)-3-ethenyl-2-propyloxane
CID 134995819
6-Methylidene-2,2-bis(prop-2-enyl)oxane
CID 135043249
2,2-Diethyl-6-prop-2-enyloxane
CID 14905227
2H-Pyran, 2-ethyltetrahydro-2-methyl-4-methylene-
CID 12283094
2-Butyl-2-methyl-4-methylideneoxane
CID 12338273
2,2-Diethyl-4-methylideneoxane
CID 12338278
9-Methylidene-6-oxaspiro[4.5]decane
CID 12338281
2-Methyl-4-methylidene-2-(2-methylpropyl)oxane
CID 14435359

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(prop-2-enyl)oxane?
The IUPAC name of 2,2-bis(prop-2-enyl)oxane (CID 14242121) is 2,2-bis(prop-2-enyl)oxane.
What is the SMILES notation for 2,2-bis(prop-2-enyl)oxane?
The canonical SMILES for 2,2-bis(prop-2-enyl)oxane is C=CCC1(CC=C)CCCCO1.
What is the InChIKey of 2,2-bis(prop-2-enyl)oxane?
The InChIKey is NJLYDSSGHCOIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-3-7-11(8-4-2)9-5-6-10-12-11/h3-4H,1-2,5-10H2.
What are the key properties of 2,2-bis(prop-2-enyl)oxane?
2,2-bis(prop-2-enyl)oxane has a molecular weight of 166.26 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(prop-2-enyl)oxane is sourced from PubChem (CID 14242121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).