1,1,3,3-tetraethoxycyclohexane

C14H28O4 — CID 151917056

IUPAC1,1,3,3-tetraethoxycyclohexane
SMILESCCOC1(OCC)CCCC(OCC)(OCC)C1
InChIInChI=1S/C14H28O4/c1-5-15-13(16-6-2)10-9-11-14(12-13,17-7-3)18-8-4/h5-12H2,1-4H3
InChIKeySVZBUMILJRKIFJ-UHFFFAOYSA-N
MW260.37 g/mol
LogP3.10
Rot. Bonds8

About 1,1,3,3-tetraethoxycyclohexane

1,1,3,3-tetraethoxycyclohexane (PubChem CID 151917056) has the molecular formula C14H28O4 and a molecular weight of 260.37 g/mol. Its IUPAC name is 1,1,3,3-tetraethoxycyclohexane.

Molecular Properties

Compound Name1,1,3,3-tetraethoxycyclohexane
PubChem CID151917056
Molecular FormulaC14H28O4
Molecular Weight260.37 g/mol
Exact Mass260.20
IUPAC Name1,1,3,3-tetraethoxycyclohexane
SMILESCCOC1(OCC)CCCC(OCC)(OCC)C1
InChIInChI=1S/C14H28O4/c1-5-15-13(16-6-2)10-9-11-14(12-13,17-7-3)18-8-4/h5-12H2,1-4H3
InChIKeySVZBUMILJRKIFJ-UHFFFAOYSA-N
XLogP3.10
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-1-(1-ethoxycyclohexyl)oxycyclohexane
CID 154120160
1,1-diethoxycyclopropane;sulfane
CID 175457696
4,4-diethoxy-2,2-dimethylpiperidine
CID 166543313
4,4-diethoxy-2,2-diethyloxane
CID 150470923
1,1,3-triethoxycyclohexane
CID 23298942
4,4-diethoxycyclohexene
CID 157062589
1,1-dipropoxycyclodecane
CID 89439642
1-(1-ethoxycyclobutyl)cyclopropan-1-amine
CID 84763643
1,1-dibutoxycyclopentane
CID 18792031
1-ethoxy-1-(trifluoromethyl)cyclopentane
CID 164600656
1-ethoxy-1-propylcyclohexane
CID 154221474
4-ethoxy-4-ethylpiperidine
CID 97036963

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetraethoxycyclohexane?
The IUPAC name of 1,1,3,3-tetraethoxycyclohexane (CID 151917056) is 1,1,3,3-tetraethoxycyclohexane.
What is the SMILES notation for 1,1,3,3-tetraethoxycyclohexane?
The canonical SMILES for 1,1,3,3-tetraethoxycyclohexane is CCOC1(OCC)CCCC(OCC)(OCC)C1.
What is the InChIKey of 1,1,3,3-tetraethoxycyclohexane?
The InChIKey is SVZBUMILJRKIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4/c1-5-15-13(16-6-2)10-9-11-14(12-13,17-7-3)18-8-4/h5-12H2,1-4H3.
What are the key properties of 1,1,3,3-tetraethoxycyclohexane?
1,1,3,3-tetraethoxycyclohexane has a molecular weight of 260.37 g/mol, XLogP of 3.10, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetraethoxycyclohexane is sourced from PubChem (CID 151917056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).