methyl 2-[5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclobutane-1-carboxylate

C13H22O5 — CID 155407460

IUPACmethyl 2-[5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclobutane-1-carboxylate
SMILESCOCC1OC(C)(C)OC1C1CCC1C(=O)OC
InChIInChI=1S/C13H22O5/c1-13(2)17-10(7-15-3)11(18-13)8-5-6-9(8)12(14)16-4/h8-11H,5-7H2,1-4H3
InChIKeyNIGIAEVTTYDXOQ-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.35
Rot. Bonds4

About methyl 2-[5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclobutane-1-carboxylate

methyl 2-[5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclobutane-1-carboxylate (PubChem CID 155407460) has the molecular formula C13H22O5 and a molecular weight of 258.31 g/mol. Its IUPAC name is methyl 2-[5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclobutane-1-carboxylate
PubChem CID155407460
Molecular FormulaC13H22O5
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Namemethyl 2-[5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclobutane-1-carboxylate
SMILESCOCC1OC(C)(C)OC1C1CCC1C(=O)OC
InChIInChI=1S/C13H22O5/c1-13(2)17-10(7-15-3)11(18-13)8-5-6-9(8)12(14)16-4/h8-11H,5-7H2,1-4H3
InChIKeyNIGIAEVTTYDXOQ-UHFFFAOYSA-N
XLogP1.35
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclobutane-1-carboxylate?
The IUPAC name of methyl 2-[5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclobutane-1-carboxylate (CID 155407460) is methyl 2-[5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 2-[5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclobutane-1-carboxylate?
The canonical SMILES for methyl 2-[5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclobutane-1-carboxylate is COCC1OC(C)(C)OC1C1CCC1C(=O)OC.
What is the InChIKey of methyl 2-[5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclobutane-1-carboxylate?
The InChIKey is NIGIAEVTTYDXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O5/c1-13(2)17-10(7-15-3)11(18-13)8-5-6-9(8)12(14)16-4/h8-11H,5-7H2,1-4H3.
What are the key properties of methyl 2-[5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclobutane-1-carboxylate?
methyl 2-[5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclobutane-1-carboxylate has a molecular weight of 258.31 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclobutane-1-carboxylate is sourced from PubChem (CID 155407460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).