2-[[(1R)-1-methylcyclohexa-2,4-dien-1-yl]methyl]oxirane

C10H14O — CID 141179598

IUPAC2-[[(1R)-1-methylcyclohexa-2,4-dien-1-yl]methyl]oxirane
SMILESC[C@@]1(CC2CO2)C=CC=CC1
InChIInChI=1S/C10H14O/c1-10(7-9-8-11-9)5-3-2-4-6-10/h2-5,9H,6-8H2,1H3/t9?,10-/m1/s1
InChIKeyYQCNNBQJXHSZDL-QVDQXJPCSA-N
MW150.22 g/mol
LogP2.30
Rot. Bonds2

About 2-[[(1R)-1-methylcyclohexa-2,4-dien-1-yl]methyl]oxirane

2-[[(1R)-1-methylcyclohexa-2,4-dien-1-yl]methyl]oxirane (PubChem CID 141179598) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-[[(1R)-1-methylcyclohexa-2,4-dien-1-yl]methyl]oxirane.

Molecular Properties

Compound Name2-[[(1R)-1-methylcyclohexa-2,4-dien-1-yl]methyl]oxirane
PubChem CID141179598
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name2-[[(1R)-1-methylcyclohexa-2,4-dien-1-yl]methyl]oxirane
SMILESC[C@@]1(CC2CO2)C=CC=CC1
InChIInChI=1S/C10H14O/c1-10(7-9-8-11-9)5-3-2-4-6-10/h2-5,9H,6-8H2,1H3/t9?,10-/m1/s1
InChIKeyYQCNNBQJXHSZDL-QVDQXJPCSA-N
XLogP2.30
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.30
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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Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-methylcyclohexa-2,4-dien-1-yl]methyl]oxirane?
The IUPAC name of 2-[[(1R)-1-methylcyclohexa-2,4-dien-1-yl]methyl]oxirane (CID 141179598) is 2-[[(1R)-1-methylcyclohexa-2,4-dien-1-yl]methyl]oxirane.
What is the SMILES notation for 2-[[(1R)-1-methylcyclohexa-2,4-dien-1-yl]methyl]oxirane?
The canonical SMILES for 2-[[(1R)-1-methylcyclohexa-2,4-dien-1-yl]methyl]oxirane is C[C@@]1(CC2CO2)C=CC=CC1.
What is the InChIKey of 2-[[(1R)-1-methylcyclohexa-2,4-dien-1-yl]methyl]oxirane?
The InChIKey is YQCNNBQJXHSZDL-QVDQXJPCSA-N. The full InChI is InChI=1S/C10H14O/c1-10(7-9-8-11-9)5-3-2-4-6-10/h2-5,9H,6-8H2,1H3/t9?,10-/m1/s1.
What are the key properties of 2-[[(1R)-1-methylcyclohexa-2,4-dien-1-yl]methyl]oxirane?
2-[[(1R)-1-methylcyclohexa-2,4-dien-1-yl]methyl]oxirane has a molecular weight of 150.22 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-methylcyclohexa-2,4-dien-1-yl]methyl]oxirane is sourced from PubChem (CID 141179598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).