3-ethyl-9-methyl-2,4,8,10-tetraoxaspiro[5.5]undecane;1-methyl-4-(4-methylcyclohexyl)oxycyclohexane

C24H44O5 — CID 158924492

IUPAC3-ethyl-9-methyl-2,4,8,10-tetraoxaspiro[5.5]undecane;1-methyl-4-(4-methylcyclohexyl)oxycyclohexane
SMILESCC1CCC(OC2CCC(C)CC2)CC1.CCC1OCC2(COC(C)OC2)CO1
InChIInChI=1S/C14H26O.C10H18O4/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-3-9-13-6-10(7-14-9)4-11-8(2)12-5-10/h11-14H,3-10H2,1-2H3;8-9H,3-7H2,1-2H3
InChIKeyJIGJCHOMHUVSIE-UHFFFAOYSA-N
MW412.61 g/mol
LogP5.31
Rot. Bonds3

About 3-ethyl-9-methyl-2,4,8,10-tetraoxaspiro[5.5]undecane;1-methyl-4-(4-methylcyclohexyl)oxycyclohexane

3-ethyl-9-methyl-2,4,8,10-tetraoxaspiro[5.5]undecane;1-methyl-4-(4-methylcyclohexyl)oxycyclohexane (PubChem CID 158924492) has the molecular formula C24H44O5 and a molecular weight of 412.61 g/mol. Its IUPAC name is 3-ethyl-9-methyl-2,4,8,10-tetraoxaspiro[5.5]undecane;1-methyl-4-(4-methylcyclohexyl)oxycyclohexane.

Molecular Properties

Compound Name3-ethyl-9-methyl-2,4,8,10-tetraoxaspiro[5.5]undecane;1-methyl-4-(4-methylcyclohexyl)oxycyclohexane
PubChem CID158924492
Molecular FormulaC24H44O5
Molecular Weight412.61 g/mol
Exact Mass412.32
IUPAC Name3-ethyl-9-methyl-2,4,8,10-tetraoxaspiro[5.5]undecane;1-methyl-4-(4-methylcyclohexyl)oxycyclohexane
SMILESCC1CCC(OC2CCC(C)CC2)CC1.CCC1OCC2(COC(C)OC2)CO1
InChIInChI=1S/C14H26O.C10H18O4/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-3-9-13-6-10(7-14-9)4-11-8(2)12-5-10/h11-14H,3-10H2,1-2H3;8-9H,3-7H2,1-2H3
InChIKeyJIGJCHOMHUVSIE-UHFFFAOYSA-N
XLogP5.31
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.61
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethyl-5,7-dioxaspiro[2.5]octane
CID 163722757
ethoxy-methyl-(4-methylcyclohexyl)oxyphosphane
CID 137470221
ethane;1-ethoxy-4-methylcyclohexane
CID 145107105
3-(4-methylcyclohexyl)oxycyclobutan-1-ol
CID 66368537
cyclopropyloxycyclopropane
CID 19900876
diethyl 2-methyl-1,3-dioxane-5,5-dicarboxylate
CID 15130485
2-ethyl-2-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-ol
CID 66368538
1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;ethane
CID 144529308
bis(1,4-dimethylcyclohexane);methane;propane
CID 159253657
ethane;[2-ethyl-5-(propoxymethyl)-1,3-dioxan-5-yl]methanol
CID 144803967
4-[(9-methyl-2,4-dioxaspiro[5.5]undecan-3-yl)methyl]piperidine
CID 176563399
2,6-dimethyl-1,3-dioxocane
CID 67957151

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-9-methyl-2,4,8,10-tetraoxaspiro[5.5]undecane;1-methyl-4-(4-methylcyclohexyl)oxycyclohexane?
The IUPAC name of 3-ethyl-9-methyl-2,4,8,10-tetraoxaspiro[5.5]undecane;1-methyl-4-(4-methylcyclohexyl)oxycyclohexane (CID 158924492) is 3-ethyl-9-methyl-2,4,8,10-tetraoxaspiro[5.5]undecane;1-methyl-4-(4-methylcyclohexyl)oxycyclohexane.
What is the SMILES notation for 3-ethyl-9-methyl-2,4,8,10-tetraoxaspiro[5.5]undecane;1-methyl-4-(4-methylcyclohexyl)oxycyclohexane?
The canonical SMILES for 3-ethyl-9-methyl-2,4,8,10-tetraoxaspiro[5.5]undecane;1-methyl-4-(4-methylcyclohexyl)oxycyclohexane is CC1CCC(OC2CCC(C)CC2)CC1.CCC1OCC2(COC(C)OC2)CO1.
What is the InChIKey of 3-ethyl-9-methyl-2,4,8,10-tetraoxaspiro[5.5]undecane;1-methyl-4-(4-methylcyclohexyl)oxycyclohexane?
The InChIKey is JIGJCHOMHUVSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O.C10H18O4/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-3-9-13-6-10(7-14-9)4-11-8(2)12-5-10/h11-14H,3-10H2,1-2H3;8-9H,3-7H2,1-2H3.
What are the key properties of 3-ethyl-9-methyl-2,4,8,10-tetraoxaspiro[5.5]undecane;1-methyl-4-(4-methylcyclohexyl)oxycyclohexane?
3-ethyl-9-methyl-2,4,8,10-tetraoxaspiro[5.5]undecane;1-methyl-4-(4-methylcyclohexyl)oxycyclohexane has a molecular weight of 412.61 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-9-methyl-2,4,8,10-tetraoxaspiro[5.5]undecane;1-methyl-4-(4-methylcyclohexyl)oxycyclohexane is sourced from PubChem (CID 158924492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).