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

C12H18O — CID 135043249

IUPAC6-methylidene-2,2-bis(prop-2-enyl)oxane
SMILESC=CCC1(CC=C)CCCC(=C)O1
InChIInChI=1S/C12H18O/c1-4-8-12(9-5-2)10-6-7-11(3)13-12/h4-5H,1-3,6-10H2
InChIKeyNLZIMRIJPBUJNW-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.59
Rot. Bonds4

About 6-methylidene-2,2-bis(prop-2-enyl)oxane

6-methylidene-2,2-bis(prop-2-enyl)oxane (PubChem CID 135043249) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 6-methylidene-2,2-bis(prop-2-enyl)oxane.

Molecular Properties

Compound Name6-methylidene-2,2-bis(prop-2-enyl)oxane
PubChem CID135043249
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name6-methylidene-2,2-bis(prop-2-enyl)oxane
SMILESC=CCC1(CC=C)CCCC(=C)O1
InChIInChI=1S/C12H18O/c1-4-8-12(9-5-2)10-6-7-11(3)13-12/h4-5H,1-3,6-10H2
InChIKeyNLZIMRIJPBUJNW-UHFFFAOYSA-N
XLogP3.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methylidene-2,2-bis(prop-2-enyl)oxane?
The IUPAC name of 6-methylidene-2,2-bis(prop-2-enyl)oxane (CID 135043249) is 6-methylidene-2,2-bis(prop-2-enyl)oxane.
What is the SMILES notation for 6-methylidene-2,2-bis(prop-2-enyl)oxane?
The canonical SMILES for 6-methylidene-2,2-bis(prop-2-enyl)oxane is C=CCC1(CC=C)CCCC(=C)O1.
What is the InChIKey of 6-methylidene-2,2-bis(prop-2-enyl)oxane?
The InChIKey is NLZIMRIJPBUJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-4-8-12(9-5-2)10-6-7-11(3)13-12/h4-5H,1-3,6-10H2.
What are the key properties of 6-methylidene-2,2-bis(prop-2-enyl)oxane?
6-methylidene-2,2-bis(prop-2-enyl)oxane has a molecular weight of 178.27 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-2,2-bis(prop-2-enyl)oxane is sourced from PubChem (CID 135043249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).