1-ethenyl-1-ethoxycyclohexane

C10H18O — CID 70349803

IUPAC1-ethenyl-1-ethoxycyclohexane
SMILESC=CC1(OCC)CCCCC1
InChIInChI=1S/C10H18O/c1-3-10(11-4-2)8-6-5-7-9-10/h3H,1,4-9H2,2H3
InChIKeyXTTPNBOJNOFBME-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.91
Rot. Bonds3

About 1-ethenyl-1-ethoxycyclohexane

1-ethenyl-1-ethoxycyclohexane (PubChem CID 70349803) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 1-ethenyl-1-ethoxycyclohexane.

Molecular Properties

Compound Name1-ethenyl-1-ethoxycyclohexane
PubChem CID70349803
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name1-ethenyl-1-ethoxycyclohexane
SMILESC=CC1(OCC)CCCCC1
InChIInChI=1S/C10H18O/c1-3-10(11-4-2)8-6-5-7-9-10/h3H,1,4-9H2,2H3
InChIKeyXTTPNBOJNOFBME-UHFFFAOYSA-N
XLogP2.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-1-ethoxycyclohexane?
The IUPAC name of 1-ethenyl-1-ethoxycyclohexane (CID 70349803) is 1-ethenyl-1-ethoxycyclohexane.
What is the SMILES notation for 1-ethenyl-1-ethoxycyclohexane?
The canonical SMILES for 1-ethenyl-1-ethoxycyclohexane is C=CC1(OCC)CCCCC1.
What is the InChIKey of 1-ethenyl-1-ethoxycyclohexane?
The InChIKey is XTTPNBOJNOFBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-3-10(11-4-2)8-6-5-7-9-10/h3H,1,4-9H2,2H3.
What are the key properties of 1-ethenyl-1-ethoxycyclohexane?
1-ethenyl-1-ethoxycyclohexane has a molecular weight of 154.25 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-1-ethoxycyclohexane is sourced from PubChem (CID 70349803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).