1-ethenoxy-3-methoxycyclohexane

C9H16O2 — CID 66367397

IUPAC1-ethenoxy-3-methoxycyclohexane
SMILESC=COC1CCCC(OC)C1
InChIInChI=1S/C9H16O2/c1-3-11-9-6-4-5-8(7-9)10-2/h3,8-9H,1,4-7H2,2H3
InChIKeyAVANRYWZUYPFRC-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.10
Rot. Bonds3

About 1-ethenoxy-3-methoxycyclohexane

1-ethenoxy-3-methoxycyclohexane (PubChem CID 66367397) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 1-ethenoxy-3-methoxycyclohexane.

Molecular Properties

Compound Name1-ethenoxy-3-methoxycyclohexane
PubChem CID66367397
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name1-ethenoxy-3-methoxycyclohexane
SMILESC=COC1CCCC(OC)C1
InChIInChI=1S/C9H16O2/c1-3-11-9-6-4-5-8(7-9)10-2/h3,8-9H,1,4-7H2,2H3
InChIKeyAVANRYWZUYPFRC-UHFFFAOYSA-N
XLogP2.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-3-methoxycyclohexane?
The IUPAC name of 1-ethenoxy-3-methoxycyclohexane (CID 66367397) is 1-ethenoxy-3-methoxycyclohexane.
What is the SMILES notation for 1-ethenoxy-3-methoxycyclohexane?
The canonical SMILES for 1-ethenoxy-3-methoxycyclohexane is C=COC1CCCC(OC)C1.
What is the InChIKey of 1-ethenoxy-3-methoxycyclohexane?
The InChIKey is AVANRYWZUYPFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-11-9-6-4-5-8(7-9)10-2/h3,8-9H,1,4-7H2,2H3.
What are the key properties of 1-ethenoxy-3-methoxycyclohexane?
1-ethenoxy-3-methoxycyclohexane has a molecular weight of 156.22 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-3-methoxycyclohexane is sourced from PubChem (CID 66367397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).