2-ethenyl-2,4,4-trimethyl-5-methylideneoxolane

C10H16O — CID 71368471

IUPAC2-ethenyl-2,4,4-trimethyl-5-methylideneoxolane
SMILESC=CC1(C)CC(C)(C)C(=C)O1
InChIInChI=1S/C10H16O/c1-6-10(5)7-9(3,4)8(2)11-10/h6H,1-2,7H2,3-5H3
InChIKeyTUXSBXSSLJIGJA-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.89
Rot. Bonds1

About 2-ethenyl-2,4,4-trimethyl-5-methylideneoxolane

2-ethenyl-2,4,4-trimethyl-5-methylideneoxolane (PubChem CID 71368471) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-ethenyl-2,4,4-trimethyl-5-methylideneoxolane.

Molecular Properties

Compound Name2-ethenyl-2,4,4-trimethyl-5-methylideneoxolane
PubChem CID71368471
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-ethenyl-2,4,4-trimethyl-5-methylideneoxolane
SMILESC=CC1(C)CC(C)(C)C(=C)O1
InChIInChI=1S/C10H16O/c1-6-10(5)7-9(3,4)8(2)11-10/h6H,1-2,7H2,3-5H3
InChIKeyTUXSBXSSLJIGJA-UHFFFAOYSA-N
XLogP2.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.89
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 2-ethenyl-2,4,4-trimethyl-5-methylideneoxolane?
The IUPAC name of 2-ethenyl-2,4,4-trimethyl-5-methylideneoxolane (CID 71368471) is 2-ethenyl-2,4,4-trimethyl-5-methylideneoxolane.
What is the SMILES notation for 2-ethenyl-2,4,4-trimethyl-5-methylideneoxolane?
The canonical SMILES for 2-ethenyl-2,4,4-trimethyl-5-methylideneoxolane is C=CC1(C)CC(C)(C)C(=C)O1.
What is the InChIKey of 2-ethenyl-2,4,4-trimethyl-5-methylideneoxolane?
The InChIKey is TUXSBXSSLJIGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-6-10(5)7-9(3,4)8(2)11-10/h6H,1-2,7H2,3-5H3.
What are the key properties of 2-ethenyl-2,4,4-trimethyl-5-methylideneoxolane?
2-ethenyl-2,4,4-trimethyl-5-methylideneoxolane has a molecular weight of 152.24 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2,4,4-trimethyl-5-methylideneoxolane is sourced from PubChem (CID 71368471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).