5-ethyl-1-methoxycyclohexene

C9H16O — CID 20600624

IUPAC5-ethyl-1-methoxycyclohexene
SMILESCCC1CCC=C(OC)C1
InChIInChI=1S/C9H16O/c1-3-8-5-4-6-9(7-8)10-2/h6,8H,3-5,7H2,1-2H3
InChIKeyFGDQBSULRAKCNA-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.73
Rot. Bonds2

About 5-ethyl-1-methoxycyclohexene

5-ethyl-1-methoxycyclohexene (PubChem CID 20600624) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 5-ethyl-1-methoxycyclohexene.

Molecular Properties

Compound Name5-ethyl-1-methoxycyclohexene
PubChem CID20600624
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name5-ethyl-1-methoxycyclohexene
SMILESCCC1CCC=C(OC)C1
InChIInChI=1S/C9H16O/c1-3-8-5-4-6-9(7-8)10-2/h6,8H,3-5,7H2,1-2H3
InChIKeyFGDQBSULRAKCNA-UHFFFAOYSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Octene, 8-methoxy-2,6-dimethyl-
CID 91936
Bicyclo(2.2.1)hept-2-ene, 2-methoxy-
CID 140198
2-Methoxy-1-methyl-4-propan-2-ylcyclohexa-1,4-diene
CID 101790812
1-Methoxy-5-(2-methylpropyl)cyclohexa-1,4-diene
CID 177853456
2-Methoxy-3-methylcyclohexene
CID 519381
Cyclohexene, 4-(1,1-dimethylethyl)-1-methoxy-
CID 10975890
1-Ethoxy-3,3,5-trimethylcyclohex-1-ene
CID 11030239
1-(Fluoromethoxy)-4-methylcyclohexene
CID 21337853
2-Fluoro-1-methoxy-4-methylcyclohexene
CID 53879972
1-Methoxy-4-(trifluoromethyl)cyclohexene
CID 60006520
(6S)-1,4-difluoro-6-methyl-5-[[(E)-pent-2-en-2-yl]oxymethyl]cyclohexene
CID 70355407
2,6-Difluoro-1-methoxy-5-methyl-4-propan-2-ylcyclohexa-1,3-diene
CID 71073041

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methoxycyclohexene?
The IUPAC name of 5-ethyl-1-methoxycyclohexene (CID 20600624) is 5-ethyl-1-methoxycyclohexene.
What is the SMILES notation for 5-ethyl-1-methoxycyclohexene?
The canonical SMILES for 5-ethyl-1-methoxycyclohexene is CCC1CCC=C(OC)C1.
What is the InChIKey of 5-ethyl-1-methoxycyclohexene?
The InChIKey is FGDQBSULRAKCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-3-8-5-4-6-9(7-8)10-2/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 5-ethyl-1-methoxycyclohexene?
5-ethyl-1-methoxycyclohexene has a molecular weight of 140.23 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methoxycyclohexene is sourced from PubChem (CID 20600624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).