2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)ethenyl]-1,3-dioxolane

C15H22O2 — CID 58005043

IUPAC2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)ethenyl]-1,3-dioxolane
SMILESCC1=C(/C=C/C2(C)OCCO2)C(C)(C)CC=C1
InChIInChI=1S/C15H22O2/c1-12-6-5-8-14(2,3)13(12)7-9-15(4)16-10-11-17-15/h5-7,9H,8,10-11H2,1-4H3/b9-7+
InChIKeyKDVQFSVEFOQRQC-VQHVLOKHSA-N
MW234.34 g/mol
LogP3.61
Rot. Bonds2

About 2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)ethenyl]-1,3-dioxolane

2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)ethenyl]-1,3-dioxolane (PubChem CID 58005043) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)ethenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)ethenyl]-1,3-dioxolane
PubChem CID58005043
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)ethenyl]-1,3-dioxolane
SMILESCC1=C(/C=C/C2(C)OCCO2)C(C)(C)CC=C1
InChIInChI=1S/C15H22O2/c1-12-6-5-8-14(2,3)13(12)7-9-15(4)16-10-11-17-15/h5-7,9H,8,10-11H2,1-4H3/b9-7+
InChIKeyKDVQFSVEFOQRQC-VQHVLOKHSA-N
XLogP3.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)ethenyl]-1,3-dioxolane?
The IUPAC name of 2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)ethenyl]-1,3-dioxolane (CID 58005043) is 2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)ethenyl]-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)ethenyl]-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)ethenyl]-1,3-dioxolane is CC1=C(/C=C/C2(C)OCCO2)C(C)(C)CC=C1.
What is the InChIKey of 2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)ethenyl]-1,3-dioxolane?
The InChIKey is KDVQFSVEFOQRQC-VQHVLOKHSA-N. The full InChI is InChI=1S/C15H22O2/c1-12-6-5-8-14(2,3)13(12)7-9-15(4)16-10-11-17-15/h5-7,9H,8,10-11H2,1-4H3/b9-7+.
What are the key properties of 2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)ethenyl]-1,3-dioxolane?
2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)ethenyl]-1,3-dioxolane has a molecular weight of 234.34 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)ethenyl]-1,3-dioxolane is sourced from PubChem (CID 58005043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).