4-ethyl-1-methoxycyclohexene

C9H16O — CID 23329926

IUPAC4-ethyl-1-methoxycyclohexene
SMILESCCC1CC=C(OC)CC1
InChIInChI=1S/C9H16O/c1-3-8-4-6-9(10-2)7-5-8/h6,8H,3-5,7H2,1-2H3
InChIKeyJFUWDNUHWWJRQO-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.73
Rot. Bonds2

About 4-ethyl-1-methoxycyclohexene

4-ethyl-1-methoxycyclohexene (PubChem CID 23329926) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 4-ethyl-1-methoxycyclohexene.

Molecular Properties

Compound Name4-ethyl-1-methoxycyclohexene
PubChem CID23329926
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name4-ethyl-1-methoxycyclohexene
SMILESCCC1CC=C(OC)CC1
InChIInChI=1S/C9H16O/c1-3-8-4-6-9(10-2)7-5-8/h6,8H,3-5,7H2,1-2H3
InChIKeyJFUWDNUHWWJRQO-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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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-methoxycyclohexene?
The IUPAC name of 4-ethyl-1-methoxycyclohexene (CID 23329926) is 4-ethyl-1-methoxycyclohexene.
What is the SMILES notation for 4-ethyl-1-methoxycyclohexene?
The canonical SMILES for 4-ethyl-1-methoxycyclohexene is CCC1CC=C(OC)CC1.
What is the InChIKey of 4-ethyl-1-methoxycyclohexene?
The InChIKey is JFUWDNUHWWJRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-3-8-4-6-9(10-2)7-5-8/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 4-ethyl-1-methoxycyclohexene?
4-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 4-ethyl-1-methoxycyclohexene is sourced from PubChem (CID 23329926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).