5-cyclopropyl-1,1,3,3-tetramethoxycyclohexane

C13H24O4 — CID 71349578

IUPAC5-cyclopropyl-1,1,3,3-tetramethoxycyclohexane
SMILESCOC1(OC)CC(C2CC2)CC(OC)(OC)C1
InChIInChI=1S/C13H24O4/c1-14-12(15-2)7-11(10-5-6-10)8-13(9-12,16-3)17-4/h10-11H,5-9H2,1-4H3
InChIKeyBYNZVAZBXLECGS-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.17
Rot. Bonds5

About 5-cyclopropyl-1,1,3,3-tetramethoxycyclohexane

5-cyclopropyl-1,1,3,3-tetramethoxycyclohexane (PubChem CID 71349578) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is 5-cyclopropyl-1,1,3,3-tetramethoxycyclohexane.

Molecular Properties

Compound Name5-cyclopropyl-1,1,3,3-tetramethoxycyclohexane
PubChem CID71349578
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name5-cyclopropyl-1,1,3,3-tetramethoxycyclohexane
SMILESCOC1(OC)CC(C2CC2)CC(OC)(OC)C1
InChIInChI=1S/C13H24O4/c1-14-12(15-2)7-11(10-5-6-10)8-13(9-12,16-3)17-4/h10-11H,5-9H2,1-4H3
InChIKeyBYNZVAZBXLECGS-UHFFFAOYSA-N
XLogP2.17
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.17
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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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1,1,3,3-tetramethoxycyclohexane?
The IUPAC name of 5-cyclopropyl-1,1,3,3-tetramethoxycyclohexane (CID 71349578) is 5-cyclopropyl-1,1,3,3-tetramethoxycyclohexane.
What is the SMILES notation for 5-cyclopropyl-1,1,3,3-tetramethoxycyclohexane?
The canonical SMILES for 5-cyclopropyl-1,1,3,3-tetramethoxycyclohexane is COC1(OC)CC(C2CC2)CC(OC)(OC)C1.
What is the InChIKey of 5-cyclopropyl-1,1,3,3-tetramethoxycyclohexane?
The InChIKey is BYNZVAZBXLECGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-14-12(15-2)7-11(10-5-6-10)8-13(9-12,16-3)17-4/h10-11H,5-9H2,1-4H3.
What are the key properties of 5-cyclopropyl-1,1,3,3-tetramethoxycyclohexane?
5-cyclopropyl-1,1,3,3-tetramethoxycyclohexane has a molecular weight of 244.33 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1,1,3,3-tetramethoxycyclohexane is sourced from PubChem (CID 71349578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).