2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]oxirane

C14H22O — CID 10856657

IUPAC2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]oxirane
SMILESCC1=C(/C=C/C2(C)CO2)C(C)(C)CCC1
InChIInChI=1S/C14H22O/c1-11-6-5-8-13(2,3)12(11)7-9-14(4)10-15-14/h7,9H,5-6,8,10H2,1-4H3/b9-7+
InChIKeyZFPXJVYTAMRLAQ-VQHVLOKHSA-N
MW206.33 g/mol
LogP3.86
Rot. Bonds2

About 2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]oxirane

2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]oxirane (PubChem CID 10856657) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]oxirane.

Molecular Properties

Compound Name2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]oxirane
PubChem CID10856657
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]oxirane
SMILESCC1=C(/C=C/C2(C)CO2)C(C)(C)CCC1
InChIInChI=1S/C14H22O/c1-11-6-5-8-13(2,3)12(11)7-9-14(4)10-15-14/h7,9H,5-6,8,10H2,1-4H3/b9-7+
InChIKeyZFPXJVYTAMRLAQ-VQHVLOKHSA-N
XLogP3.86
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Cyclohexene, 2-(3-ethoxy-1-buten-1-yl)-1,3,3-trimethyl-
CID 6436993
15-Ebbct
CID 6449945
Retinyl methyl ether
CID 6436634
2-(3-Ethoxy-1-buten-1-yl)-1,3,3-trimethylcyclohexene
CID 103389
2-(9-Methoxy-3,7-dimethylnona-1,3,5,7-tetraenyl)-1,3,3-trimethylcyclohexene
CID 92284
2,3-Dimethyl-2-[4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hexa-1,3,5-trienyl]oxirane
CID 54304481
2-[(E)-3-methoxybut-1-enyl]-1,3,3-trimethylcyclohexene
CID 11356247
1-(2,6,6-Trimethylcyclohexen-1-yl)-3-methoxy-1,3-butadiene
CID 129878286
2-methyl-2-(4-methylpent-3-enyl)-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]oxirane
CID 134839578
2-[(E)-3,4-dimethoxy-3-methylpent-1-enyl]-1,3,3-trimethylcyclohexene
CID 164676644
15,15a(2)-Epoxy-15,15a(2)-dihydro-I(2),I(2)-carotene
CID 3081795
2-[(1E)-3-methoxy-3-methylpenta-1,4-dienyl]-1,3,3-trimethylcyclohexene
CID 15524056

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]oxirane?
The IUPAC name of 2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]oxirane (CID 10856657) is 2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]oxirane.
What is the SMILES notation for 2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]oxirane?
The canonical SMILES for 2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]oxirane is CC1=C(/C=C/C2(C)CO2)C(C)(C)CCC1.
What is the InChIKey of 2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]oxirane?
The InChIKey is ZFPXJVYTAMRLAQ-VQHVLOKHSA-N. The full InChI is InChI=1S/C14H22O/c1-11-6-5-8-13(2,3)12(11)7-9-14(4)10-15-14/h7,9H,5-6,8,10H2,1-4H3/b9-7+.
What are the key properties of 2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]oxirane?
2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]oxirane has a molecular weight of 206.33 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]oxirane is sourced from PubChem (CID 10856657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).