4-ethenyl-2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole

C9H12O2 — CID 19000683

IUPAC4-ethenyl-2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole
SMILESC=CC1=CCC2OC(C)OC12
InChIInChI=1S/C9H12O2/c1-3-7-4-5-8-9(7)11-6(2)10-8/h3-4,6,8-9H,1,5H2,2H3
InChIKeyYHYYZLXQUWFGOB-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.63
Rot. Bonds1

About 4-ethenyl-2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole

4-ethenyl-2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole (PubChem CID 19000683) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 4-ethenyl-2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole.

Molecular Properties

Compound Name4-ethenyl-2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole
PubChem CID19000683
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name4-ethenyl-2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole
SMILESC=CC1=CCC2OC(C)OC12
InChIInChI=1S/C9H12O2/c1-3-7-4-5-8-9(7)11-6(2)10-8/h3-4,6,8-9H,1,5H2,2H3
InChIKeyYHYYZLXQUWFGOB-UHFFFAOYSA-N
XLogP1.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole?
The IUPAC name of 4-ethenyl-2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole (CID 19000683) is 4-ethenyl-2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole.
What is the SMILES notation for 4-ethenyl-2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole?
The canonical SMILES for 4-ethenyl-2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole is C=CC1=CCC2OC(C)OC12.
What is the InChIKey of 4-ethenyl-2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole?
The InChIKey is YHYYZLXQUWFGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-3-7-4-5-8-9(7)11-6(2)10-8/h3-4,6,8-9H,1,5H2,2H3.
What are the key properties of 4-ethenyl-2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole?
4-ethenyl-2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole has a molecular weight of 152.19 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole is sourced from PubChem (CID 19000683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).