2-(4-methylcyclohex-3-en-1-yl)oxirane

C9H14O — CID 140666756

IUPAC2-(4-methylcyclohex-3-en-1-yl)oxirane
SMILESCC1=CCC(C2CO2)CC1
InChIInChI=1S/C9H14O/c1-7-2-4-8(5-3-7)9-6-10-9/h2,8-9H,3-6H2,1H3
InChIKeyPPPZBAPMXKRIGG-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.13
Rot. Bonds1

About 2-(4-methylcyclohex-3-en-1-yl)oxirane

2-(4-methylcyclohex-3-en-1-yl)oxirane (PubChem CID 140666756) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-(4-methylcyclohex-3-en-1-yl)oxirane.

Molecular Properties

Compound Name2-(4-methylcyclohex-3-en-1-yl)oxirane
PubChem CID140666756
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name2-(4-methylcyclohex-3-en-1-yl)oxirane
SMILESCC1=CCC(C2CO2)CC1
InChIInChI=1S/C9H14O/c1-7-2-4-8(5-3-7)9-6-10-9/h2,8-9H,3-6H2,1H3
InChIKeyPPPZBAPMXKRIGG-UHFFFAOYSA-N
XLogP2.13
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.13
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

(5R)-5-methyl-2-[(2S)-5-[(1R)-4-methylcyclohex-3-en-1-yl]oxan-2-yl]oxane
CID 155378283
4-(chloromethyl)-2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxolane
CID 13435636
tetrakis(1,4-bis(4-methylcyclohexyl)cyclohexane);pentakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexene;molecular hydrogen;dodecahydrate
CID 161058057
(1S,4S,5R,8R,9R)-6,8,9-trimethyl-4-[(1R)-4-methylcyclohex-3-en-1-yl]-3-oxabicyclo[3.3.1]non-6-ene
CID 124816609
1,4-dimethyl(113C)cyclohexene
CID 11018826
1,4-dimethylcyclohexene;2,5-dimethyloxane
CID 143612345
CID 59269448
CID 59269448
2-[[5-(4-methylcyclohex-3-en-1-yl)oxan-2-yl]methyl]-5-[2-(4-methylcyclohexyl)ethyl]oxane
CID 163972403
(1R)-N,4-dimethylcyclohex-3-en-1-amine
CID 15748124
1-methyl-4-[(4-methylcyclohex-3-en-1-yl)methyl]cyclohexene
CID 23031272
8-methyl-2,3,4,4a,5a,6,9,10,10a,10b-decahydro-1H-cyclohepta[b][1]benzofuran
CID 123463134
1-methyl-4-propylcyclohexene
CID 102055246

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohex-3-en-1-yl)oxirane?
The IUPAC name of 2-(4-methylcyclohex-3-en-1-yl)oxirane (CID 140666756) is 2-(4-methylcyclohex-3-en-1-yl)oxirane.
What is the SMILES notation for 2-(4-methylcyclohex-3-en-1-yl)oxirane?
The canonical SMILES for 2-(4-methylcyclohex-3-en-1-yl)oxirane is CC1=CCC(C2CO2)CC1.
What is the InChIKey of 2-(4-methylcyclohex-3-en-1-yl)oxirane?
The InChIKey is PPPZBAPMXKRIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-7-2-4-8(5-3-7)9-6-10-9/h2,8-9H,3-6H2,1H3.
What are the key properties of 2-(4-methylcyclohex-3-en-1-yl)oxirane?
2-(4-methylcyclohex-3-en-1-yl)oxirane has a molecular weight of 138.21 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohex-3-en-1-yl)oxirane is sourced from PubChem (CID 140666756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).