3,3-dimethyl-5-methylidene-2,2-bis(prop-2-enyl)oxolane

C13H20O — CID 86072624

IUPAC3,3-dimethyl-5-methylidene-2,2-bis(prop-2-enyl)oxolane
SMILESC=CCC1(CC=C)OC(=C)CC1(C)C
InChIInChI=1S/C13H20O/c1-6-8-13(9-7-2)12(4,5)10-11(3)14-13/h6-7H,1-3,8-10H2,4-5H3
InChIKeyIHCGXSDXCJYGHW-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.84
Rot. Bonds4

About 3,3-dimethyl-5-methylidene-2,2-bis(prop-2-enyl)oxolane

3,3-dimethyl-5-methylidene-2,2-bis(prop-2-enyl)oxolane (PubChem CID 86072624) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 3,3-dimethyl-5-methylidene-2,2-bis(prop-2-enyl)oxolane.

Molecular Properties

Compound Name3,3-dimethyl-5-methylidene-2,2-bis(prop-2-enyl)oxolane
PubChem CID86072624
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name3,3-dimethyl-5-methylidene-2,2-bis(prop-2-enyl)oxolane
SMILESC=CCC1(CC=C)OC(=C)CC1(C)C
InChIInChI=1S/C13H20O/c1-6-8-13(9-7-2)12(4,5)10-11(3)14-13/h6-7H,1-3,8-10H2,4-5H3
InChIKeyIHCGXSDXCJYGHW-UHFFFAOYSA-N
XLogP3.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.84
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 3,3-dimethyl-5-methylidene-2,2-bis(prop-2-enyl)oxolane?
The IUPAC name of 3,3-dimethyl-5-methylidene-2,2-bis(prop-2-enyl)oxolane (CID 86072624) is 3,3-dimethyl-5-methylidene-2,2-bis(prop-2-enyl)oxolane.
What is the SMILES notation for 3,3-dimethyl-5-methylidene-2,2-bis(prop-2-enyl)oxolane?
The canonical SMILES for 3,3-dimethyl-5-methylidene-2,2-bis(prop-2-enyl)oxolane is C=CCC1(CC=C)OC(=C)CC1(C)C.
What is the InChIKey of 3,3-dimethyl-5-methylidene-2,2-bis(prop-2-enyl)oxolane?
The InChIKey is IHCGXSDXCJYGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-6-8-13(9-7-2)12(4,5)10-11(3)14-13/h6-7H,1-3,8-10H2,4-5H3.
What are the key properties of 3,3-dimethyl-5-methylidene-2,2-bis(prop-2-enyl)oxolane?
3,3-dimethyl-5-methylidene-2,2-bis(prop-2-enyl)oxolane has a molecular weight of 192.30 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-methylidene-2,2-bis(prop-2-enyl)oxolane is sourced from PubChem (CID 86072624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).