1,1,2,2-tetramethoxycyclohexane

C10H20O4 — CID 2733429

IUPAC1,1,2,2-tetramethoxycyclohexane
SMILESCOC1(OC)CCCCC1(OC)OC
InChIInChI=1S/C10H20O4/c1-11-9(12-2)7-5-6-8-10(9,13-3)14-4/h5-8H2,1-4H3
InChIKeyZGERRGRQKXRTKD-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.54
Rot. Bonds4

About 1,1,2,2-tetramethoxycyclohexane

1,1,2,2-tetramethoxycyclohexane (PubChem CID 2733429) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is 1,1,2,2-tetramethoxycyclohexane.

Molecular Properties

Compound Name1,1,2,2-tetramethoxycyclohexane
PubChem CID2733429
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name1,1,2,2-tetramethoxycyclohexane
SMILESCOC1(OC)CCCCC1(OC)OC
InChIInChI=1S/C10H20O4/c1-11-9(12-2)7-5-6-8-10(9,13-3)14-4/h5-8H2,1-4H3
InChIKeyZGERRGRQKXRTKD-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
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-methoxy-1-(1-methoxycyclohexyl)cyclohexane
CID 90308314
1-methoxy-1-methylcyclononane
CID 123479365
1-methoxy-1-methylcyclodecane
CID 23154687
(1-methoxycyclopentyl)oxy-trimethylsilane
CID 58221009
1-butoxy-2-ethoxy-2-methoxycyclohexan-1-ol
CID 154491152
1-cyclopropyl-1-methoxycyclopentane
CID 59169338
1-ethyl-1-methoxycyclohexane
CID 21039859
1-methoxy-1-oxidooxycyclohexane
CID 102414242
4-(1-methoxycyclopentyl)piperidine
CID 130748165
1-(bromomethyl)-1-methoxycycloheptane
CID 62113509
1-methoxycycloheptane-1-carbonitrile
CID 15495961
(1-methoxycyclooctyl)methanol
CID 165494656

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetramethoxycyclohexane?
The IUPAC name of 1,1,2,2-tetramethoxycyclohexane (CID 2733429) is 1,1,2,2-tetramethoxycyclohexane.
What is the SMILES notation for 1,1,2,2-tetramethoxycyclohexane?
The canonical SMILES for 1,1,2,2-tetramethoxycyclohexane is COC1(OC)CCCCC1(OC)OC.
What is the InChIKey of 1,1,2,2-tetramethoxycyclohexane?
The InChIKey is ZGERRGRQKXRTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-11-9(12-2)7-5-6-8-10(9,13-3)14-4/h5-8H2,1-4H3.
What are the key properties of 1,1,2,2-tetramethoxycyclohexane?
1,1,2,2-tetramethoxycyclohexane has a molecular weight of 204.27 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetramethoxycyclohexane is sourced from PubChem (CID 2733429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).