4-ethyl-4-methyl-8,9-di(propan-2-yl)-3,5-dioxatricyclo[5.2.1.02,6]decane

C17H30O2 — CID 123967929

IUPAC4-ethyl-4-methyl-8,9-di(propan-2-yl)-3,5-dioxatricyclo[5.2.1.02,6]decane
SMILESCCC1(C)OC2C3CC(C2O1)C(C(C)C)C3C(C)C
InChIInChI=1S/C17H30O2/c1-7-17(6)18-15-11-8-12(16(15)19-17)14(10(4)5)13(11)9(2)3/h9-16H,7-8H2,1-6H3
InChIKeyTYQIZYQOOICFJG-UHFFFAOYSA-N
MW266.42 g/mol
LogP4.09
Rot. Bonds3

About 4-ethyl-4-methyl-8,9-di(propan-2-yl)-3,5-dioxatricyclo[5.2.1.02,6]decane

4-ethyl-4-methyl-8,9-di(propan-2-yl)-3,5-dioxatricyclo[5.2.1.02,6]decane (PubChem CID 123967929) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 4-ethyl-4-methyl-8,9-di(propan-2-yl)-3,5-dioxatricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name4-ethyl-4-methyl-8,9-di(propan-2-yl)-3,5-dioxatricyclo[5.2.1.02,6]decane
PubChem CID123967929
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name4-ethyl-4-methyl-8,9-di(propan-2-yl)-3,5-dioxatricyclo[5.2.1.02,6]decane
SMILESCCC1(C)OC2C3CC(C2O1)C(C(C)C)C3C(C)C
InChIInChI=1S/C17H30O2/c1-7-17(6)18-15-11-8-12(16(15)19-17)14(10(4)5)13(11)9(2)3/h9-16H,7-8H2,1-6H3
InChIKeyTYQIZYQOOICFJG-UHFFFAOYSA-N
XLogP4.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-4-methyl-8,9-di(propan-2-yl)-3,5-dioxatricyclo[5.2.1.02,6]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Spiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane], 4',7',7'-trimethyl-3'-neopentyloxy-
CID 394163
8,9,9,10,10,11-Hexafluoro-4,4-dimethyl-3,5-dioxatetracyclo[5.4.1.0(2,6).0(8,11)]dodecane
CID 536170
8-(2-Bromo-2,2-difluoroethyl)-4,4-dimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane
CID 117734121
8-(1,1,2,2-Tetrafluoropropyl)spiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane]
CID 155401772
Methyl 3-(4,4-dimethyl-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)propanoate
CID 85408959
Lithium 4-ethyl-1,10,10-trimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane
CID 135050662
7,7,8-Trimethylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]
CID 15319386
(1'R,3'S,4'R)-2',2',3'-trimethylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]
CID 15319387
4-Ethyl-1,10,10-trimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane
CID 73819666
4,4-Dimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane
CID 12513636
5',6'-Dimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]
CID 20762817
(3aR,4R,6R,6aR)-5-cyclopentyl-2,2,4,6-tetramethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole
CID 57587434

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-methyl-8,9-di(propan-2-yl)-3,5-dioxatricyclo[5.2.1.02,6]decane?
The IUPAC name of 4-ethyl-4-methyl-8,9-di(propan-2-yl)-3,5-dioxatricyclo[5.2.1.02,6]decane (CID 123967929) is 4-ethyl-4-methyl-8,9-di(propan-2-yl)-3,5-dioxatricyclo[5.2.1.02,6]decane.
What is the SMILES notation for 4-ethyl-4-methyl-8,9-di(propan-2-yl)-3,5-dioxatricyclo[5.2.1.02,6]decane?
The canonical SMILES for 4-ethyl-4-methyl-8,9-di(propan-2-yl)-3,5-dioxatricyclo[5.2.1.02,6]decane is CCC1(C)OC2C3CC(C2O1)C(C(C)C)C3C(C)C.
What is the InChIKey of 4-ethyl-4-methyl-8,9-di(propan-2-yl)-3,5-dioxatricyclo[5.2.1.02,6]decane?
The InChIKey is TYQIZYQOOICFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-7-17(6)18-15-11-8-12(16(15)19-17)14(10(4)5)13(11)9(2)3/h9-16H,7-8H2,1-6H3.
What are the key properties of 4-ethyl-4-methyl-8,9-di(propan-2-yl)-3,5-dioxatricyclo[5.2.1.02,6]decane?
4-ethyl-4-methyl-8,9-di(propan-2-yl)-3,5-dioxatricyclo[5.2.1.02,6]decane has a molecular weight of 266.42 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methyl-8,9-di(propan-2-yl)-3,5-dioxatricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 123967929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).