[5-cyclohexyl-3,3-bis(methoxymethyl)pentyl]cyclohexane

C21H40O2 — CID 22020748

IUPAC[5-cyclohexyl-3,3-bis(methoxymethyl)pentyl]cyclohexane
SMILESCOCC(CCC1CCCCC1)(CCC1CCCCC1)COC
InChIInChI=1S/C21H40O2/c1-22-17-21(18-23-2,15-13-19-9-5-3-6-10-19)16-14-20-11-7-4-8-12-20/h19-20H,3-18H2,1-2H3
InChIKeyIFKPQKNFYPMKNL-UHFFFAOYSA-N
MW324.55 g/mol
LogP5.99
Rot. Bonds10

About [5-cyclohexyl-3,3-bis(methoxymethyl)pentyl]cyclohexane

[5-cyclohexyl-3,3-bis(methoxymethyl)pentyl]cyclohexane (PubChem CID 22020748) has the molecular formula C21H40O2 and a molecular weight of 324.55 g/mol. Its IUPAC name is [5-cyclohexyl-3,3-bis(methoxymethyl)pentyl]cyclohexane.

Molecular Properties

Compound Name[5-cyclohexyl-3,3-bis(methoxymethyl)pentyl]cyclohexane
PubChem CID22020748
Molecular FormulaC21H40O2
Molecular Weight324.55 g/mol
Exact Mass324.30
IUPAC Name[5-cyclohexyl-3,3-bis(methoxymethyl)pentyl]cyclohexane
SMILESCOCC(CCC1CCCCC1)(CCC1CCCCC1)COC
InChIInChI=1S/C21H40O2/c1-22-17-21(18-23-2,15-13-19-9-5-3-6-10-19)16-14-20-11-7-4-8-12-20/h19-20H,3-18H2,1-2H3
InChIKeyIFKPQKNFYPMKNL-UHFFFAOYSA-N
XLogP5.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.55
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [5-cyclohexyl-3,3-bis(methoxymethyl)pentyl]cyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-cyclohexyl-3,3-bis(methoxymethyl)pentyl]cyclohexane?
The IUPAC name of [5-cyclohexyl-3,3-bis(methoxymethyl)pentyl]cyclohexane (CID 22020748) is [5-cyclohexyl-3,3-bis(methoxymethyl)pentyl]cyclohexane.
What is the SMILES notation for [5-cyclohexyl-3,3-bis(methoxymethyl)pentyl]cyclohexane?
The canonical SMILES for [5-cyclohexyl-3,3-bis(methoxymethyl)pentyl]cyclohexane is COCC(CCC1CCCCC1)(CCC1CCCCC1)COC.
What is the InChIKey of [5-cyclohexyl-3,3-bis(methoxymethyl)pentyl]cyclohexane?
The InChIKey is IFKPQKNFYPMKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40O2/c1-22-17-21(18-23-2,15-13-19-9-5-3-6-10-19)16-14-20-11-7-4-8-12-20/h19-20H,3-18H2,1-2H3.
What are the key properties of [5-cyclohexyl-3,3-bis(methoxymethyl)pentyl]cyclohexane?
[5-cyclohexyl-3,3-bis(methoxymethyl)pentyl]cyclohexane has a molecular weight of 324.55 g/mol, XLogP of 5.99, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclohexyl-3,3-bis(methoxymethyl)pentyl]cyclohexane is sourced from PubChem (CID 22020748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).