2-methyl-2-[(3-methyloxetan-3-yl)methoxymethyl]-1,3-dioxolane

C10H18O4 — CID 59660762

IUPAC2-methyl-2-[(3-methyloxetan-3-yl)methoxymethyl]-1,3-dioxolane
SMILESCC1(COCC2(C)OCCO2)COC1
InChIInChI=1S/C10H18O4/c1-9(5-11-6-9)7-12-8-10(2)13-3-4-14-10/h3-8H2,1-2H3
InChIKeyXRAGHCQIZSMKOQ-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.80
Rot. Bonds4

About 2-methyl-2-[(3-methyloxetan-3-yl)methoxymethyl]-1,3-dioxolane

2-methyl-2-[(3-methyloxetan-3-yl)methoxymethyl]-1,3-dioxolane (PubChem CID 59660762) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-methyl-2-[(3-methyloxetan-3-yl)methoxymethyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-[(3-methyloxetan-3-yl)methoxymethyl]-1,3-dioxolane
PubChem CID59660762
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name2-methyl-2-[(3-methyloxetan-3-yl)methoxymethyl]-1,3-dioxolane
SMILESCC1(COCC2(C)OCCO2)COC1
InChIInChI=1S/C10H18O4/c1-9(5-11-6-9)7-12-8-10(2)13-3-4-14-10/h3-8H2,1-2H3
InChIKeyXRAGHCQIZSMKOQ-UHFFFAOYSA-N
XLogP0.80
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(3-methyloxetan-3-yl)methoxymethyl]-1,3-dioxolane?
The IUPAC name of 2-methyl-2-[(3-methyloxetan-3-yl)methoxymethyl]-1,3-dioxolane (CID 59660762) is 2-methyl-2-[(3-methyloxetan-3-yl)methoxymethyl]-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-[(3-methyloxetan-3-yl)methoxymethyl]-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-[(3-methyloxetan-3-yl)methoxymethyl]-1,3-dioxolane is CC1(COCC2(C)OCCO2)COC1.
What is the InChIKey of 2-methyl-2-[(3-methyloxetan-3-yl)methoxymethyl]-1,3-dioxolane?
The InChIKey is XRAGHCQIZSMKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-9(5-11-6-9)7-12-8-10(2)13-3-4-14-10/h3-8H2,1-2H3.
What are the key properties of 2-methyl-2-[(3-methyloxetan-3-yl)methoxymethyl]-1,3-dioxolane?
2-methyl-2-[(3-methyloxetan-3-yl)methoxymethyl]-1,3-dioxolane has a molecular weight of 202.25 g/mol, XLogP of 0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(3-methyloxetan-3-yl)methoxymethyl]-1,3-dioxolane is sourced from PubChem (CID 59660762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).