2-methyl-2-[2-methyl-4-(3-methyloxiran-2-yl)cyclopentyl]-1,3-dioxolane

C13H22O3 — CID 88552904

IUPAC2-methyl-2-[2-methyl-4-(3-methyloxiran-2-yl)cyclopentyl]-1,3-dioxolane
SMILESCC1CC(C2OC2C)CC1C1(C)OCCO1
InChIInChI=1S/C13H22O3/c1-8-6-10(12-9(2)16-12)7-11(8)13(3)14-4-5-15-13/h8-12H,4-7H2,1-3H3
InChIKeyZJWMFNVNGPIFTE-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.20
Rot. Bonds2

About 2-methyl-2-[2-methyl-4-(3-methyloxiran-2-yl)cyclopentyl]-1,3-dioxolane

2-methyl-2-[2-methyl-4-(3-methyloxiran-2-yl)cyclopentyl]-1,3-dioxolane (PubChem CID 88552904) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-methyl-2-[2-methyl-4-(3-methyloxiran-2-yl)cyclopentyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-[2-methyl-4-(3-methyloxiran-2-yl)cyclopentyl]-1,3-dioxolane
PubChem CID88552904
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name2-methyl-2-[2-methyl-4-(3-methyloxiran-2-yl)cyclopentyl]-1,3-dioxolane
SMILESCC1CC(C2OC2C)CC1C1(C)OCCO1
InChIInChI=1S/C13H22O3/c1-8-6-10(12-9(2)16-12)7-11(8)13(3)14-4-5-15-13/h8-12H,4-7H2,1-3H3
InChIKeyZJWMFNVNGPIFTE-UHFFFAOYSA-N
XLogP2.20
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-methyl-4-(3-methyloxiran-2-yl)cyclopentyl]-1,3-dioxolane?
The IUPAC name of 2-methyl-2-[2-methyl-4-(3-methyloxiran-2-yl)cyclopentyl]-1,3-dioxolane (CID 88552904) is 2-methyl-2-[2-methyl-4-(3-methyloxiran-2-yl)cyclopentyl]-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-[2-methyl-4-(3-methyloxiran-2-yl)cyclopentyl]-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-[2-methyl-4-(3-methyloxiran-2-yl)cyclopentyl]-1,3-dioxolane is CC1CC(C2OC2C)CC1C1(C)OCCO1.
What is the InChIKey of 2-methyl-2-[2-methyl-4-(3-methyloxiran-2-yl)cyclopentyl]-1,3-dioxolane?
The InChIKey is ZJWMFNVNGPIFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c1-8-6-10(12-9(2)16-12)7-11(8)13(3)14-4-5-15-13/h8-12H,4-7H2,1-3H3.
What are the key properties of 2-methyl-2-[2-methyl-4-(3-methyloxiran-2-yl)cyclopentyl]-1,3-dioxolane?
2-methyl-2-[2-methyl-4-(3-methyloxiran-2-yl)cyclopentyl]-1,3-dioxolane has a molecular weight of 226.32 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-methyl-4-(3-methyloxiran-2-yl)cyclopentyl]-1,3-dioxolane is sourced from PubChem (CID 88552904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).