2-[[2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylcyclohexyl)cyclohexyl]oxymethyl]oxirane

C24H44O2 — CID 20656027

IUPAC2-[[2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylcyclohexyl)cyclohexyl]oxymethyl]oxirane
SMILESCC1C(C)C(C)C(C2C(C)C(C)C(OCC3CO3)C(C)C2C)C(C)C1C
InChIInChI=1S/C24H44O2/c1-12-13(2)15(4)22(16(5)14(12)3)23-17(6)19(8)24(20(9)18(23)7)26-11-21-10-25-21/h12-24H,10-11H2,1-9H3
InChIKeyHHDLXLKPWAQZTR-UHFFFAOYSA-N
MW364.61 g/mol
LogP5.75
Rot. Bonds4

About 2-[[2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylcyclohexyl)cyclohexyl]oxymethyl]oxirane

2-[[2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylcyclohexyl)cyclohexyl]oxymethyl]oxirane (PubChem CID 20656027) has the molecular formula C24H44O2 and a molecular weight of 364.61 g/mol. Its IUPAC name is 2-[[2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylcyclohexyl)cyclohexyl]oxymethyl]oxirane.

Molecular Properties

Compound Name2-[[2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylcyclohexyl)cyclohexyl]oxymethyl]oxirane
PubChem CID20656027
Molecular FormulaC24H44O2
Molecular Weight364.61 g/mol
Exact Mass364.33
IUPAC Name2-[[2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylcyclohexyl)cyclohexyl]oxymethyl]oxirane
SMILESCC1C(C)C(C)C(C2C(C)C(C)C(OCC3CO3)C(C)C2C)C(C)C1C
InChIInChI=1S/C24H44O2/c1-12-13(2)15(4)22(16(5)14(12)3)23-17(6)19(8)24(20(9)18(23)7)26-11-21-10-25-21/h12-24H,10-11H2,1-9H3
InChIKeyHHDLXLKPWAQZTR-UHFFFAOYSA-N
XLogP5.75
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.61
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[[2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylcyclohexyl)cyclohexyl]oxymethyl]oxirane with MolForge

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Related Compounds

2-methyl-3-(oxiran-2-ylmethoxy)oxetane
CID 175220948
6,7-bis(oxiran-2-ylmethoxy)-3,8-dioxatricyclo[3.2.1.02,4]octane
CID 59502485
3-(oxiran-2-ylmethoxy)oxiran-2-ol
CID 141311016
(3S,3aR,6S,6aR)-3,6-bis(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 21139666
(6R)-3,6-bis(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 163672850
(2R)-2-[[(1R,2S)-2-[[(2S)-oxiran-2-yl]methoxy]cyclohexyl]oxymethyl]oxirane
CID 129448945
methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
2-(1-bromoethoxymethyl)oxirane
CID 20568723
ethene;2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene
CID 23018396
2-methylbut-2-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87813388
2-[[(E)-prop-1-enoxy]methyl]oxirane
CID 6436935
methyl-tris(oxiran-2-ylmethoxy)silane
CID 22460133

Frequently Asked Questions

What is the IUPAC name of 2-[[2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylcyclohexyl)cyclohexyl]oxymethyl]oxirane?
The IUPAC name of 2-[[2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylcyclohexyl)cyclohexyl]oxymethyl]oxirane (CID 20656027) is 2-[[2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylcyclohexyl)cyclohexyl]oxymethyl]oxirane.
What is the SMILES notation for 2-[[2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylcyclohexyl)cyclohexyl]oxymethyl]oxirane?
The canonical SMILES for 2-[[2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylcyclohexyl)cyclohexyl]oxymethyl]oxirane is CC1C(C)C(C)C(C2C(C)C(C)C(OCC3CO3)C(C)C2C)C(C)C1C.
What is the InChIKey of 2-[[2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylcyclohexyl)cyclohexyl]oxymethyl]oxirane?
The InChIKey is HHDLXLKPWAQZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O2/c1-12-13(2)15(4)22(16(5)14(12)3)23-17(6)19(8)24(20(9)18(23)7)26-11-21-10-25-21/h12-24H,10-11H2,1-9H3.
What are the key properties of 2-[[2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylcyclohexyl)cyclohexyl]oxymethyl]oxirane?
2-[[2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylcyclohexyl)cyclohexyl]oxymethyl]oxirane has a molecular weight of 364.61 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylcyclohexyl)cyclohexyl]oxymethyl]oxirane is sourced from PubChem (CID 20656027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).