methyl 2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]acetate

C11H20O4 — CID 117169751

IUPACmethyl 2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]acetate
SMILESCOC(=O)CC1COC(C)(CC(C)C)O1
InChIInChI=1S/C11H20O4/c1-8(2)6-11(3)14-7-9(15-11)5-10(12)13-4/h8-9H,5-7H2,1-4H3
InChIKeyADBMSWDDTVNJGF-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.73
Rot. Bonds4

About methyl 2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]acetate

methyl 2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]acetate (PubChem CID 117169751) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl 2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]acetate
PubChem CID117169751
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Namemethyl 2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]acetate
SMILESCOC(=O)CC1COC(C)(CC(C)C)O1
InChIInChI=1S/C11H20O4/c1-8(2)6-11(3)14-7-9(15-11)5-10(12)13-4/h8-9H,5-7H2,1-4H3
InChIKeyADBMSWDDTVNJGF-UHFFFAOYSA-N
XLogP1.73
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]acetic acid
CID 117169750
2-methyl-4-[[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methoxymethyl]-2-(2-methylpropyl)-1,3-dioxolane
CID 58219208
(2S,4S)-4-(chloromethyl)-2-methyl-2-(2-methylpropyl)-1,3-dioxolane
CID 932583
methyl 2-[2-[(3-hydroxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]acetate
CID 117169502
methyl 3-[4-(2-hydroxypropoxymethyl)-2-methyl-1,3-dioxolan-2-yl]propanoate
CID 59818359
[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl] 2-methylprop-2-enoate
CID 19364552
methyl 2-[2-methyl-2-(thiolan-3-yl)-1,3-dioxolan-4-yl]acetate
CID 117168377
methyl 2-[2-methyl-2-(2-methylphenyl)-1,3-dioxolan-4-yl]acetate
CID 117169919
methyl 2-(2-methyl-2-pyrrolidin-2-yl-1,3-dioxolan-4-yl)acetate
CID 117168874
methyl 2-(2,2,6-trimethyl-1,3-dioxan-4-yl)acetate
CID 85404971
1-methyl-1-[[(2R,4S)-2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methyl]piperidin-1-ium
CID 751995
2-methyl-4-(4-methylpentan-2-yloxy)-2-(2-methylpropyl)-1,3-dioxolane
CID 22072724

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]acetate?
The IUPAC name of methyl 2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]acetate (CID 117169751) is methyl 2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]acetate?
The canonical SMILES for methyl 2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]acetate is COC(=O)CC1COC(C)(CC(C)C)O1.
What is the InChIKey of methyl 2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]acetate?
The InChIKey is ADBMSWDDTVNJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-8(2)6-11(3)14-7-9(15-11)5-10(12)13-4/h8-9H,5-7H2,1-4H3.
What are the key properties of methyl 2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]acetate?
methyl 2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]acetate has a molecular weight of 216.28 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]acetate is sourced from PubChem (CID 117169751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).