2-(1,2-dimethylcyclopent-2-en-1-yl)-2,4,5-trimethyl-1,3-dioxolane

C13H22O2 — CID 575288

IUPAC2-(1,2-dimethylcyclopent-2-en-1-yl)-2,4,5-trimethyl-1,3-dioxolane
SMILESCC1=CCCC1(C)C1(C)OC(C)C(C)O1
InChIInChI=1S/C13H22O2/c1-9-7-6-8-12(9,4)13(5)14-10(2)11(3)15-13/h7,10-11H,6,8H2,1-5H3
InChIKeySDGGLBAFBBLSQC-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.27
Rot. Bonds1

About 2-(1,2-dimethylcyclopent-2-en-1-yl)-2,4,5-trimethyl-1,3-dioxolane

2-(1,2-dimethylcyclopent-2-en-1-yl)-2,4,5-trimethyl-1,3-dioxolane (PubChem CID 575288) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(1,2-dimethylcyclopent-2-en-1-yl)-2,4,5-trimethyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(1,2-dimethylcyclopent-2-en-1-yl)-2,4,5-trimethyl-1,3-dioxolane
PubChem CID575288
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-(1,2-dimethylcyclopent-2-en-1-yl)-2,4,5-trimethyl-1,3-dioxolane
SMILESCC1=CCCC1(C)C1(C)OC(C)C(C)O1
InChIInChI=1S/C13H22O2/c1-9-7-6-8-12(9,4)13(5)14-10(2)11(3)15-13/h7,10-11H,6,8H2,1-5H3
InChIKeySDGGLBAFBBLSQC-UHFFFAOYSA-N
XLogP3.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2,3,3,4-tetramethylcyclohepta-1,4-diene
CID 121218571
(6S)-1,5,5,6-tetramethylcyclohexene
CID 11768696
(1R,6S,8R,9S,11S)-2,6-dimethyl-12-oxatricyclo[6.3.1.01,6]dodec-2-ene-9,11-diol
CID 10421184
(3S,3aS,7aR)-3,7,7a-trimethyl-3-prop-1-en-2-yl-1,2,4,5-tetrahydroinden-3a-ol
CID 50901921
1,6-dimethyl-6-propan-2-ylcyclohexene;ethane
CID 172575297
(1,2-dimethylcyclopent-2-en-1-yl)benzene
CID 18943784
2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one
CID 70873388
(2,6,6-trimethyl-1-propylcyclohex-2-en-1-yl)methanol
CID 57314612
(1R,4Z,8Z,12S)-1,5,9-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene
CID 93481800
(4Z)-1,5,9-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene
CID 139596542
(5S,6S)-2,2,3,3,5,6-hexamethyl-1,4-dioxane
CID 59124579

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylcyclopent-2-en-1-yl)-2,4,5-trimethyl-1,3-dioxolane?
The IUPAC name of 2-(1,2-dimethylcyclopent-2-en-1-yl)-2,4,5-trimethyl-1,3-dioxolane (CID 575288) is 2-(1,2-dimethylcyclopent-2-en-1-yl)-2,4,5-trimethyl-1,3-dioxolane.
What is the SMILES notation for 2-(1,2-dimethylcyclopent-2-en-1-yl)-2,4,5-trimethyl-1,3-dioxolane?
The canonical SMILES for 2-(1,2-dimethylcyclopent-2-en-1-yl)-2,4,5-trimethyl-1,3-dioxolane is CC1=CCCC1(C)C1(C)OC(C)C(C)O1.
What is the InChIKey of 2-(1,2-dimethylcyclopent-2-en-1-yl)-2,4,5-trimethyl-1,3-dioxolane?
The InChIKey is SDGGLBAFBBLSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-9-7-6-8-12(9,4)13(5)14-10(2)11(3)15-13/h7,10-11H,6,8H2,1-5H3.
What are the key properties of 2-(1,2-dimethylcyclopent-2-en-1-yl)-2,4,5-trimethyl-1,3-dioxolane?
2-(1,2-dimethylcyclopent-2-en-1-yl)-2,4,5-trimethyl-1,3-dioxolane has a molecular weight of 210.32 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylcyclopent-2-en-1-yl)-2,4,5-trimethyl-1,3-dioxolane is sourced from PubChem (CID 575288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).