2,4-dimethyl-2-[(E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)prop-1-en-2-yl]-1,3-dioxolane

C17H28O2 — CID 11971372

IUPAC2,4-dimethyl-2-[(E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)prop-1-en-2-yl]-1,3-dioxolane
SMILESCC1=CCCC(C)(C)C1/C=C(\C)C1(C)OCC(C)O1
InChIInChI=1S/C17H28O2/c1-12-8-7-9-16(4,5)15(12)10-13(2)17(6)18-11-14(3)19-17/h8,10,14-15H,7,9,11H2,1-6H3/b13-10+
InChIKeyOLJZZCKBGUFAEV-JLHYYAGUSA-N
MW264.41 g/mol
LogP4.47
Rot. Bonds2

About 2,4-dimethyl-2-[(E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)prop-1-en-2-yl]-1,3-dioxolane

2,4-dimethyl-2-[(E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)prop-1-en-2-yl]-1,3-dioxolane (PubChem CID 11971372) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 2,4-dimethyl-2-[(E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)prop-1-en-2-yl]-1,3-dioxolane.

Molecular Properties

Compound Name2,4-dimethyl-2-[(E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)prop-1-en-2-yl]-1,3-dioxolane
PubChem CID11971372
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name2,4-dimethyl-2-[(E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)prop-1-en-2-yl]-1,3-dioxolane
SMILESCC1=CCCC(C)(C)C1/C=C(\C)C1(C)OCC(C)O1
InChIInChI=1S/C17H28O2/c1-12-8-7-9-16(4,5)15(12)10-13(2)17(6)18-11-14(3)19-17/h8,10,14-15H,7,9,11H2,1-6H3/b13-10+
InChIKeyOLJZZCKBGUFAEV-JLHYYAGUSA-N
XLogP4.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,4-dimethyl-2-[(E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)prop-1-en-2-yl]-1,3-dioxolane?
The IUPAC name of 2,4-dimethyl-2-[(E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)prop-1-en-2-yl]-1,3-dioxolane (CID 11971372) is 2,4-dimethyl-2-[(E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)prop-1-en-2-yl]-1,3-dioxolane.
What is the SMILES notation for 2,4-dimethyl-2-[(E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)prop-1-en-2-yl]-1,3-dioxolane?
The canonical SMILES for 2,4-dimethyl-2-[(E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)prop-1-en-2-yl]-1,3-dioxolane is CC1=CCCC(C)(C)C1/C=C(\C)C1(C)OCC(C)O1.
What is the InChIKey of 2,4-dimethyl-2-[(E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)prop-1-en-2-yl]-1,3-dioxolane?
The InChIKey is OLJZZCKBGUFAEV-JLHYYAGUSA-N. The full InChI is InChI=1S/C17H28O2/c1-12-8-7-9-16(4,5)15(12)10-13(2)17(6)18-11-14(3)19-17/h8,10,14-15H,7,9,11H2,1-6H3/b13-10+.
What are the key properties of 2,4-dimethyl-2-[(E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)prop-1-en-2-yl]-1,3-dioxolane?
2,4-dimethyl-2-[(E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)prop-1-en-2-yl]-1,3-dioxolane has a molecular weight of 264.41 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-[(E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)prop-1-en-2-yl]-1,3-dioxolane is sourced from PubChem (CID 11971372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).