cyclohexene;2-methyloxirane

C9H16O — CID 159091274

IUPACcyclohexene;2-methyloxirane
SMILESC1=CCCCC1.CC1CO1
InChIInChI=1S/C6H10.C3H6O/c1-2-4-6-5-3-1;1-3-2-4-3/h1-2H,3-6H2;3H,2H2,1H3
InChIKeyKCBYDNZTIRFPIK-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.52
Rot. Bonds

About cyclohexene;2-methyloxirane

cyclohexene;2-methyloxirane (PubChem CID 159091274) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is cyclohexene;2-methyloxirane.

Molecular Properties

Compound Namecyclohexene;2-methyloxirane
PubChem CID159091274
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Namecyclohexene;2-methyloxirane
SMILESC1=CCCCC1.CC1CO1
InChIInChI=1S/C6H10.C3H6O/c1-2-4-6-5-3-1;1-3-2-4-3/h1-2H,3-6H2;3H,2H2,1H3
InChIKeyKCBYDNZTIRFPIK-UHFFFAOYSA-N
XLogP2.52
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 163498360
CID 163498360
2-methyloxirane;polane
CID 173240072
λ2-plumbane;2-methyloxirane
CID 173222692
(1E,7E)-cyclododeca-1,7-diene
CID 6477773
benzene;ethane;2-methyloxirane
CID 91562382
zinc;2-methyloxirane;dichloride
CID 21163562
magnesium;hydride;2-methyloxirane
CID 173126818
2-methyloxirane;molecular iodine
CID 91277313
(2S)-2,5-dimethyl-1,4-dioxane
CID 6712981
CID 159956237
CID 159956237
9-methylcyclopentadecene
CID 154291341
(1Z,9E,17E)-cyclotetracosa-1,9,17-triene
CID 153422638

Frequently Asked Questions

What is the IUPAC name of cyclohexene;2-methyloxirane?
The IUPAC name of cyclohexene;2-methyloxirane (CID 159091274) is cyclohexene;2-methyloxirane.
What is the SMILES notation for cyclohexene;2-methyloxirane?
The canonical SMILES for cyclohexene;2-methyloxirane is C1=CCCCC1.CC1CO1.
What is the InChIKey of cyclohexene;2-methyloxirane?
The InChIKey is KCBYDNZTIRFPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10.C3H6O/c1-2-4-6-5-3-1;1-3-2-4-3/h1-2H,3-6H2;3H,2H2,1H3.
What are the key properties of cyclohexene;2-methyloxirane?
cyclohexene;2-methyloxirane has a molecular weight of 140.23 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexene;2-methyloxirane is sourced from PubChem (CID 159091274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).