1-ethoxy-1-(1-ethoxycyclohexyl)oxycyclohexane

C16H30O3 — CID 154120160

IUPAC1-ethoxy-1-(1-ethoxycyclohexyl)oxycyclohexane
SMILESCCOC1(OC2(OCC)CCCCC2)CCCCC1
InChIInChI=1S/C16H30O3/c1-3-17-15(11-7-5-8-12-15)19-16(18-4-2)13-9-6-10-14-16/h3-14H2,1-2H3
InChIKeySIFJXZISFAWKAC-UHFFFAOYSA-N
MW270.41 g/mol
LogP4.40
Rot. Bonds6

About 1-ethoxy-1-(1-ethoxycyclohexyl)oxycyclohexane

1-ethoxy-1-(1-ethoxycyclohexyl)oxycyclohexane (PubChem CID 154120160) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is 1-ethoxy-1-(1-ethoxycyclohexyl)oxycyclohexane.

Molecular Properties

Compound Name1-ethoxy-1-(1-ethoxycyclohexyl)oxycyclohexane
PubChem CID154120160
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name1-ethoxy-1-(1-ethoxycyclohexyl)oxycyclohexane
SMILESCCOC1(OC2(OCC)CCCCC2)CCCCC1
InChIInChI=1S/C16H30O3/c1-3-17-15(11-7-5-8-12-15)19-16(18-4-2)13-9-6-10-14-16/h3-14H2,1-2H3
InChIKeySIFJXZISFAWKAC-UHFFFAOYSA-N
XLogP4.40
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1,3,3-tetraethoxycyclohexane
CID 151917056
1,1-diethoxycyclopropane;sulfane
CID 175457696
1,1-dipropoxycyclodecane
CID 89439642
4-ethoxyspiro[4.5]decane-4-carbaldehyde
CID 130679876
1-ethoxy-1-propylcyclohexane
CID 154221474
1,1-dibutoxycyclooctane
CID 18791994
cyclopentane;1-ethoxy-1-methylsulfanylcyclopentane
CID 67853175
1,1,3-triethoxycyclohexane
CID 23298942
1,1-dipropoxycyclononane;trimethylphosphane;hydroiodide
CID 175350547
1,1-dibutoxycyclopentane
CID 18792031
8-ethoxyspiro[4.5]decane-8-carbaldehyde
CID 130679880
1-ethoxy-1-(trifluoromethyl)cyclopentane
CID 164600656

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1-(1-ethoxycyclohexyl)oxycyclohexane?
The IUPAC name of 1-ethoxy-1-(1-ethoxycyclohexyl)oxycyclohexane (CID 154120160) is 1-ethoxy-1-(1-ethoxycyclohexyl)oxycyclohexane.
What is the SMILES notation for 1-ethoxy-1-(1-ethoxycyclohexyl)oxycyclohexane?
The canonical SMILES for 1-ethoxy-1-(1-ethoxycyclohexyl)oxycyclohexane is CCOC1(OC2(OCC)CCCCC2)CCCCC1.
What is the InChIKey of 1-ethoxy-1-(1-ethoxycyclohexyl)oxycyclohexane?
The InChIKey is SIFJXZISFAWKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1-3-17-15(11-7-5-8-12-15)19-16(18-4-2)13-9-6-10-14-16/h3-14H2,1-2H3.
What are the key properties of 1-ethoxy-1-(1-ethoxycyclohexyl)oxycyclohexane?
1-ethoxy-1-(1-ethoxycyclohexyl)oxycyclohexane has a molecular weight of 270.41 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1-(1-ethoxycyclohexyl)oxycyclohexane is sourced from PubChem (CID 154120160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).