2-[[4-[2-[4-(2,2-dimethylbut-3-enoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane

C24H42O3 — CID 140564892

IUPAC2-[[4-[2-[4-(2,2-dimethylbut-3-enoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane
SMILESC=CC(C)(C)COC1CCC(C(C)(C)C2CCC(OCC3CO3)CC2)CC1
InChIInChI=1S/C24H42O3/c1-6-23(2,3)17-27-21-13-9-19(10-14-21)24(4,5)18-7-11-20(12-8-18)25-15-22-16-26-22/h6,18-22H,1,7-17H2,2-5H3
InChIKeyHHUNVTQCMUXQNB-UHFFFAOYSA-N
MW378.60 g/mol
LogP5.77
Rot. Bonds9

About 2-[[4-[2-[4-(2,2-dimethylbut-3-enoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane

2-[[4-[2-[4-(2,2-dimethylbut-3-enoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane (PubChem CID 140564892) has the molecular formula C24H42O3 and a molecular weight of 378.60 g/mol. Its IUPAC name is 2-[[4-[2-[4-(2,2-dimethylbut-3-enoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane.

Molecular Properties

Compound Name2-[[4-[2-[4-(2,2-dimethylbut-3-enoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane
PubChem CID140564892
Molecular FormulaC24H42O3
Molecular Weight378.60 g/mol
Exact Mass378.31
IUPAC Name2-[[4-[2-[4-(2,2-dimethylbut-3-enoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane
SMILESC=CC(C)(C)COC1CCC(C(C)(C)C2CCC(OCC3CO3)CC2)CC1
InChIInChI=1S/C24H42O3/c1-6-23(2,3)17-27-21-13-9-19(10-14-21)24(4,5)18-7-11-20(12-8-18)25-15-22-16-26-22/h6,18-22H,1,7-17H2,2-5H3
InChIKeyHHUNVTQCMUXQNB-UHFFFAOYSA-N
XLogP5.77
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.60
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[4-[2-[4-(2,2-dimethylbut-3-enoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane with MolForge

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Related Compounds

2-[[4-[2-[4-[1,1-bis[4-(oxiran-2-ylmethoxy)cyclohexyl]ethyl]cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane
CID 118282146
4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexan-1-ol
CID 89323282
1,3-bis[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxy]propan-2-ol;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane
CID 161181502
1,3-bis[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxy]propan-2-ol;2-methyloxirane
CID 159772295
2-[[4-(methoxymethyl)cyclohexyl]oxymethyl]oxirane
CID 167078198
2-[[4-(4-propylcyclohexyl)cyclohexyl]oxymethyl]oxirane
CID 58895347
2-[2-[4-[2-[4-[2-(oxiran-2-ylmethoxy)ethyl]cyclohexyl]propan-2-yl]cyclohexyl]ethoxymethyl]oxirane
CID 170082901
2-[[4-[2-[4-(oxiran-2-ylmethyl)cyclohexyl]propan-2-yl]cyclohexyl]methyl]oxirane
CID 22281012
4-[2-(4-ethoxycyclohexyl)propan-2-yl]cyclohexan-1-ol
CID 70671036
1-tert-butyl-3-[2-(4-prop-2-enoxycyclohexyl)propan-2-yl]cyclohexane
CID 143233637
ethene;2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene
CID 23018396
2-[[3,4-bis(oxiran-2-ylmethyl)cyclohexyl]oxymethyl]oxirane;methanamine
CID 174996449

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-[4-(2,2-dimethylbut-3-enoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane?
The IUPAC name of 2-[[4-[2-[4-(2,2-dimethylbut-3-enoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane (CID 140564892) is 2-[[4-[2-[4-(2,2-dimethylbut-3-enoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane.
What is the SMILES notation for 2-[[4-[2-[4-(2,2-dimethylbut-3-enoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane?
The canonical SMILES for 2-[[4-[2-[4-(2,2-dimethylbut-3-enoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane is C=CC(C)(C)COC1CCC(C(C)(C)C2CCC(OCC3CO3)CC2)CC1.
What is the InChIKey of 2-[[4-[2-[4-(2,2-dimethylbut-3-enoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane?
The InChIKey is HHUNVTQCMUXQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O3/c1-6-23(2,3)17-27-21-13-9-19(10-14-21)24(4,5)18-7-11-20(12-8-18)25-15-22-16-26-22/h6,18-22H,1,7-17H2,2-5H3.
What are the key properties of 2-[[4-[2-[4-(2,2-dimethylbut-3-enoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane?
2-[[4-[2-[4-(2,2-dimethylbut-3-enoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane has a molecular weight of 378.60 g/mol, XLogP of 5.77, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-[4-(2,2-dimethylbut-3-enoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane is sourced from PubChem (CID 140564892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).