2-ethyl-4,5-dimethyl-2-propan-2-yl-1,3-dioxolane

C10H20O2 — CID 545674

IUPAC2-ethyl-4,5-dimethyl-2-propan-2-yl-1,3-dioxolane
SMILESCCC1(C(C)C)OC(C)C(C)O1
InChIInChI=1S/C10H20O2/c1-6-10(7(2)3)11-8(4)9(5)12-10/h7-9H,6H2,1-5H3
InChIKeyCJSJZGKKWPSLKX-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.57
Rot. Bonds2

About 2-ethyl-4,5-dimethyl-2-propan-2-yl-1,3-dioxolane

2-ethyl-4,5-dimethyl-2-propan-2-yl-1,3-dioxolane (PubChem CID 545674) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-ethyl-4,5-dimethyl-2-propan-2-yl-1,3-dioxolane.

Molecular Properties

Compound Name2-ethyl-4,5-dimethyl-2-propan-2-yl-1,3-dioxolane
PubChem CID545674
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-ethyl-4,5-dimethyl-2-propan-2-yl-1,3-dioxolane
SMILESCCC1(C(C)C)OC(C)C(C)O1
InChIInChI=1S/C10H20O2/c1-6-10(7(2)3)11-8(4)9(5)12-10/h7-9H,6H2,1-5H3
InChIKeyCJSJZGKKWPSLKX-UHFFFAOYSA-N
XLogP2.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Bis(1-methylethyl)-1,3-dioxolane-4-methanol
CID 10105
2-Isobutyl-4-methyl-1,3-dioxolane
CID 86733
2,2-Diisopropyl-1,3-dioxolane
CID 78137
1,3-Dioxolane, 2-methyl-2-(2-methylpropyl)-
CID 559995
2-Ethyl-2,4,5-trimethyl-1,3-dioxolane
CID 221881
2,4-Dimethyl-2-propyl-1,3-dioxolane
CID 22737
trans-(2R/S)-2,4-diethyl-2,5-dimethyl-1,3-dioxolane
CID 52951881
rel-(2R/S,4S,5S)-4-ethyl-5-methyl-2-(1-methylethyl)-1,3-dioxolane
CID 52951882
rel-(2R/S,4R,5R)-4-ethyl-5-methyl-2-(1-methylethyl)-1,3-dioxolane
CID 52951885
2-Methyl-2-isopropyl-1,3-dioxolane
CID 20434
Npc98850
CID 539101
rel-(2R/S,4S,5S)-4-ethyl-5-methyl-2-(1-methylpropyl)-1,3-dioxolane
CID 52951883

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,5-dimethyl-2-propan-2-yl-1,3-dioxolane?
The IUPAC name of 2-ethyl-4,5-dimethyl-2-propan-2-yl-1,3-dioxolane (CID 545674) is 2-ethyl-4,5-dimethyl-2-propan-2-yl-1,3-dioxolane.
What is the SMILES notation for 2-ethyl-4,5-dimethyl-2-propan-2-yl-1,3-dioxolane?
The canonical SMILES for 2-ethyl-4,5-dimethyl-2-propan-2-yl-1,3-dioxolane is CCC1(C(C)C)OC(C)C(C)O1.
What is the InChIKey of 2-ethyl-4,5-dimethyl-2-propan-2-yl-1,3-dioxolane?
The InChIKey is CJSJZGKKWPSLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-6-10(7(2)3)11-8(4)9(5)12-10/h7-9H,6H2,1-5H3.
What are the key properties of 2-ethyl-4,5-dimethyl-2-propan-2-yl-1,3-dioxolane?
2-ethyl-4,5-dimethyl-2-propan-2-yl-1,3-dioxolane has a molecular weight of 172.27 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,5-dimethyl-2-propan-2-yl-1,3-dioxolane is sourced from PubChem (CID 545674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).