1,2,3,4,5-pentamethoxycyclohexane

C11H22O5 — CID 71260609

IUPAC1,2,3,4,5-pentamethoxycyclohexane
SMILESCOC1CC(OC)C(OC)C(OC)C1OC
InChIInChI=1S/C11H22O5/c1-12-7-6-8(13-2)10(15-4)11(16-5)9(7)14-3/h7-11H,6H2,1-5H3
InChIKeyALCFOQVEFZWMHF-UHFFFAOYSA-N
MW234.29 g/mol
LogP0.47
Rot. Bonds5

About 1,2,3,4,5-pentamethoxycyclohexane

1,2,3,4,5-pentamethoxycyclohexane (PubChem CID 71260609) has the molecular formula C11H22O5 and a molecular weight of 234.29 g/mol. Its IUPAC name is 1,2,3,4,5-pentamethoxycyclohexane.

Molecular Properties

Compound Name1,2,3,4,5-pentamethoxycyclohexane
PubChem CID71260609
Molecular FormulaC11H22O5
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name1,2,3,4,5-pentamethoxycyclohexane
SMILESCOC1CC(OC)C(OC)C(OC)C1OC
InChIInChI=1S/C11H22O5/c1-12-7-6-8(13-2)10(15-4)11(16-5)9(7)14-3/h7-11H,6H2,1-5H3
InChIKeyALCFOQVEFZWMHF-UHFFFAOYSA-N
XLogP0.47
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentamethoxycyclohexane?
The IUPAC name of 1,2,3,4,5-pentamethoxycyclohexane (CID 71260609) is 1,2,3,4,5-pentamethoxycyclohexane.
What is the SMILES notation for 1,2,3,4,5-pentamethoxycyclohexane?
The canonical SMILES for 1,2,3,4,5-pentamethoxycyclohexane is COC1CC(OC)C(OC)C(OC)C1OC.
What is the InChIKey of 1,2,3,4,5-pentamethoxycyclohexane?
The InChIKey is ALCFOQVEFZWMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O5/c1-12-7-6-8(13-2)10(15-4)11(16-5)9(7)14-3/h7-11H,6H2,1-5H3.
What are the key properties of 1,2,3,4,5-pentamethoxycyclohexane?
1,2,3,4,5-pentamethoxycyclohexane has a molecular weight of 234.29 g/mol, XLogP of 0.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentamethoxycyclohexane is sourced from PubChem (CID 71260609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).