1-ethoxy-1-methoxycyclohexane

C9H18O2 — CID 22081763

IUPAC1-ethoxy-1-methoxycyclohexane
SMILESCCOC1(OC)CCCCC1
InChIInChI=1S/C9H18O2/c1-3-11-9(10-2)7-5-4-6-8-9/h3-8H2,1-2H3
InChIKeyFFUGCDGEBFNSFB-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.33
Rot. Bonds3

About 1-ethoxy-1-methoxycyclohexane

1-ethoxy-1-methoxycyclohexane (PubChem CID 22081763) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 1-ethoxy-1-methoxycyclohexane.

Molecular Properties

Compound Name1-ethoxy-1-methoxycyclohexane
PubChem CID22081763
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name1-ethoxy-1-methoxycyclohexane
SMILESCCOC1(OC)CCCCC1
InChIInChI=1S/C9H18O2/c1-3-11-9(10-2)7-5-4-6-8-9/h3-8H2,1-2H3
InChIKeyFFUGCDGEBFNSFB-UHFFFAOYSA-N
XLogP2.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1-methoxycyclohexane?
The IUPAC name of 1-ethoxy-1-methoxycyclohexane (CID 22081763) is 1-ethoxy-1-methoxycyclohexane.
What is the SMILES notation for 1-ethoxy-1-methoxycyclohexane?
The canonical SMILES for 1-ethoxy-1-methoxycyclohexane is CCOC1(OC)CCCCC1.
What is the InChIKey of 1-ethoxy-1-methoxycyclohexane?
The InChIKey is FFUGCDGEBFNSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-3-11-9(10-2)7-5-4-6-8-9/h3-8H2,1-2H3.
What are the key properties of 1-ethoxy-1-methoxycyclohexane?
1-ethoxy-1-methoxycyclohexane has a molecular weight of 158.24 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1-methoxycyclohexane is sourced from PubChem (CID 22081763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).