1,2,3,4-tetramethoxycyclohexane

C10H20O4 — CID 568175

IUPAC1,2,3,4-tetramethoxycyclohexane
SMILESCOC1CCC(OC)C(OC)C1OC
InChIInChI=1S/C10H20O4/c1-11-7-5-6-8(12-2)10(14-4)9(7)13-3/h7-10H,5-6H2,1-4H3
InChIKeyPAGULUGXFPKGJD-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.84
Rot. Bonds4

About 1,2,3,4-tetramethoxycyclohexane

1,2,3,4-tetramethoxycyclohexane (PubChem CID 568175) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is 1,2,3,4-tetramethoxycyclohexane.

Molecular Properties

Compound Name1,2,3,4-tetramethoxycyclohexane
PubChem CID568175
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name1,2,3,4-tetramethoxycyclohexane
SMILESCOC1CCC(OC)C(OC)C1OC
InChIInChI=1S/C10H20O4/c1-11-7-5-6-8(12-2)10(14-4)9(7)13-3/h7-10H,5-6H2,1-4H3
InChIKeyPAGULUGXFPKGJD-UHFFFAOYSA-N
XLogP0.84
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetramethoxycyclohexane?
The IUPAC name of 1,2,3,4-tetramethoxycyclohexane (CID 568175) is 1,2,3,4-tetramethoxycyclohexane.
What is the SMILES notation for 1,2,3,4-tetramethoxycyclohexane?
The canonical SMILES for 1,2,3,4-tetramethoxycyclohexane is COC1CCC(OC)C(OC)C1OC.
What is the InChIKey of 1,2,3,4-tetramethoxycyclohexane?
The InChIKey is PAGULUGXFPKGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-11-7-5-6-8(12-2)10(14-4)9(7)13-3/h7-10H,5-6H2,1-4H3.
What are the key properties of 1,2,3,4-tetramethoxycyclohexane?
1,2,3,4-tetramethoxycyclohexane has a molecular weight of 204.27 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetramethoxycyclohexane is sourced from PubChem (CID 568175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).