1-(2-ethoxyethyl)cyclohexene

C10H18O — CID 67854625

IUPAC1-(2-ethoxyethyl)cyclohexene
SMILESCCOCCC1=CCCCC1
InChIInChI=1S/C10H18O/c1-2-11-9-8-10-6-4-3-5-7-10/h6H,2-5,7-9H2,1H3
InChIKeyMSWUSWKUOICDMY-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.91
Rot. Bonds4

About 1-(2-ethoxyethyl)cyclohexene

1-(2-ethoxyethyl)cyclohexene (PubChem CID 67854625) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)cyclohexene.

Molecular Properties

Compound Name1-(2-ethoxyethyl)cyclohexene
PubChem CID67854625
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name1-(2-ethoxyethyl)cyclohexene
SMILESCCOCCC1=CCCCC1
InChIInChI=1S/C10H18O/c1-2-11-9-8-10-6-4-3-5-7-10/h6H,2-5,7-9H2,1H3
InChIKeyMSWUSWKUOICDMY-UHFFFAOYSA-N
XLogP2.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Methoxy-5-pentylcyclohexa-1,4-diene
CID 101790808
1-Fluoro-4-(5-methoxypentyl)cyclohexa-1,3-diene
CID 68177755
(E)-3-[2-(2,2,2-trifluoroethoxy)ethyl]oct-2-ene
CID 138741990
(Z)-4-(2-fluoro-2-methoxyethyl)oct-3-ene
CID 146181508
6-heptyl-3,4-dihydro-2H-pyran
CID 12464361
8-Methyl-1-oxaspiro[4.5]dec-7-ene
CID 21724763
10-(3-Methylbut-3-enoxy)dec-1-ene
CID 168890516
(E)-12-ethoxydodec-3-ene
CID 17824959
(2S,6R)-2-(cyclohexen-1-ylmethyl)-6-methyloxane
CID 11030689
4-butyl-5-prop-2-enyl-3,6-dihydro-2H-pyran
CID 11769152
4-(2-methylcyclopenten-1-yl)-5-methylidene-2H-pyran
CID 15710159
(2r)-4-Methyl-2-pentyl-3,6-dihydro-2h-pyran
CID 124563322

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)cyclohexene?
The IUPAC name of 1-(2-ethoxyethyl)cyclohexene (CID 67854625) is 1-(2-ethoxyethyl)cyclohexene.
What is the SMILES notation for 1-(2-ethoxyethyl)cyclohexene?
The canonical SMILES for 1-(2-ethoxyethyl)cyclohexene is CCOCCC1=CCCCC1.
What is the InChIKey of 1-(2-ethoxyethyl)cyclohexene?
The InChIKey is MSWUSWKUOICDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-2-11-9-8-10-6-4-3-5-7-10/h6H,2-5,7-9H2,1H3.
What are the key properties of 1-(2-ethoxyethyl)cyclohexene?
1-(2-ethoxyethyl)cyclohexene has a molecular weight of 154.25 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)cyclohexene is sourced from PubChem (CID 67854625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).