2-ethyl-4-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)-2-methyl-1,3-dioxolane

C12H22O4 — CID 77335045

IUPAC2-ethyl-4-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)-2-methyl-1,3-dioxolane
SMILESCCC1(C)OCC(C2COC(C)(CC)O2)O1
InChIInChI=1S/C12H22O4/c1-5-11(3)13-7-9(15-11)10-8-14-12(4,6-2)16-10/h9-10H,5-8H2,1-4H3
InChIKeyMUNLRELQVDPAAI-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.07
Rot. Bonds3

About 2-ethyl-4-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)-2-methyl-1,3-dioxolane

2-ethyl-4-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)-2-methyl-1,3-dioxolane (PubChem CID 77335045) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 2-ethyl-4-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-ethyl-4-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)-2-methyl-1,3-dioxolane
PubChem CID77335045
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name2-ethyl-4-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)-2-methyl-1,3-dioxolane
SMILESCCC1(C)OCC(C2COC(C)(CC)O2)O1
InChIInChI=1S/C12H22O4/c1-5-11(3)13-7-9(15-11)10-8-14-12(4,6-2)16-10/h9-10H,5-8H2,1-4H3
InChIKeyMUNLRELQVDPAAI-UHFFFAOYSA-N
XLogP2.07
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-4-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)-2-methyl-1,3-dioxolane with MolForge

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Related Compounds

5-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)oxolane-2,3-diol
CID 123450262
2,4-diethyl-2-methyl-1,3-dioxolane
CID 59435311
(5S)-5-[(4S)-2-ethyl-2-methyl-1,3-dioxolan-4-yl]-4-hydroxyoxolane-2,3-dione
CID 57103772
2-ethyl-2-methyl-4-(3-methylbut-2-en-2-yl)-1,3-dioxolane
CID 141369953
methyl 2-ethyl-2-methyl-1,3-dioxolane-4-carboxylate
CID 175220005
4-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl]morpholine
CID 13264215
5-butan-2-yl-2-ethyl-2-methyl-1,3-dioxane
CID 89076533
bis[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl] butanedioate
CID 139293602
4-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)-2-methylidenebutanoic acid
CID 90355809
9-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl]carbazole
CID 3533724
ethyl 4-(2-ethoxycarbonyl-2-methyl-1,3-dioxolan-4-yl)-2-methyl-1,3-dioxolane-2-carboxylate
CID 70875273
1-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)propyl prop-2-enoate
CID 67003798

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)-2-methyl-1,3-dioxolane?
The IUPAC name of 2-ethyl-4-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)-2-methyl-1,3-dioxolane (CID 77335045) is 2-ethyl-4-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-ethyl-4-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-ethyl-4-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)-2-methyl-1,3-dioxolane is CCC1(C)OCC(C2COC(C)(CC)O2)O1.
What is the InChIKey of 2-ethyl-4-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)-2-methyl-1,3-dioxolane?
The InChIKey is MUNLRELQVDPAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-5-11(3)13-7-9(15-11)10-8-14-12(4,6-2)16-10/h9-10H,5-8H2,1-4H3.
What are the key properties of 2-ethyl-4-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)-2-methyl-1,3-dioxolane?
2-ethyl-4-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)-2-methyl-1,3-dioxolane has a molecular weight of 230.30 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)-2-methyl-1,3-dioxolane is sourced from PubChem (CID 77335045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).