2-[2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]cyclohexyl]cyclohexyl]ethyl]-1,3-dioxolane

C22H38O4 — CID 54389969

IUPAC2-[2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]cyclohexyl]cyclohexyl]ethyl]-1,3-dioxolane
SMILESC1COC(CCC2CCC(C3CCC(CCC4OCCO4)CC3)CC2)O1
InChIInChI=1S/C22H38O4/c1-7-19(8-2-17(1)5-11-21-23-13-14-24-21)20-9-3-18(4-10-20)6-12-22-25-15-16-26-22/h17-22H,1-16H2
InChIKeyVFXYTYBCCBXJAX-UHFFFAOYSA-N
MW366.54 g/mol
LogP4.91
Rot. Bonds7

About 2-[2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]cyclohexyl]cyclohexyl]ethyl]-1,3-dioxolane

2-[2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]cyclohexyl]cyclohexyl]ethyl]-1,3-dioxolane (PubChem CID 54389969) has the molecular formula C22H38O4 and a molecular weight of 366.54 g/mol. Its IUPAC name is 2-[2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]cyclohexyl]cyclohexyl]ethyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]cyclohexyl]cyclohexyl]ethyl]-1,3-dioxolane
PubChem CID54389969
Molecular FormulaC22H38O4
Molecular Weight366.54 g/mol
Exact Mass366.28
IUPAC Name2-[2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]cyclohexyl]cyclohexyl]ethyl]-1,3-dioxolane
SMILESC1COC(CCC2CCC(C3CCC(CCC4OCCO4)CC3)CC2)O1
InChIInChI=1S/C22H38O4/c1-7-19(8-2-17(1)5-11-21-23-13-14-24-21)20-9-3-18(4-10-20)6-12-22-25-15-16-26-22/h17-22H,1-16H2
InChIKeyVFXYTYBCCBXJAX-UHFFFAOYSA-N
XLogP4.91
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.54
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]cyclohexyl]cyclohexyl]ethyl]-1,3-dioxolane with MolForge

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Related Compounds

2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]cyclohexyl]cyclohexyl]acetamide
CID 139724792
2-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-1,3-dioxane
CID 20599519
2-[2-[4-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]cyclohexyl]ethyl]-5-propyl-1,3-dioxane
CID 20599508
2-but-3-enyl-5-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1,3-dioxane
CID 59108126
2-[2-[2-(cyclopropylmethoxy)oxolan-3-yl]ethyl]-1,3-dioxolane
CID 101452015
1,4-bis[4-(2-fluoroethyl)cyclohexyl]cyclohexane
CID 18343974
2-(1,3-dioxolan-2-yl)ethylphosphane
CID 67730766
2-cyclopropylethylcyclopropane;ethene
CID 174963089
3-(4-propylcyclohexyl)oxane
CID 150771088
2-[2-[4-(4-fluorocyclohex-3-en-1-yl)cyclohexyl]ethyl]-5-propyl-1,3-dioxane
CID 22876109
[4-[2-[5-(4-propylcyclohexyl)oxan-2-yl]ethyl]cyclohexyl]methanol
CID 70829322
3-(2-cycloheptylethyl)-2,3,4,4a,5,6,7,8,9,10,11,11a-dodecahydro-1H-benzo[9]annulene
CID 90780974

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]cyclohexyl]cyclohexyl]ethyl]-1,3-dioxolane?
The IUPAC name of 2-[2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]cyclohexyl]cyclohexyl]ethyl]-1,3-dioxolane (CID 54389969) is 2-[2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]cyclohexyl]cyclohexyl]ethyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]cyclohexyl]cyclohexyl]ethyl]-1,3-dioxolane?
The canonical SMILES for 2-[2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]cyclohexyl]cyclohexyl]ethyl]-1,3-dioxolane is C1COC(CCC2CCC(C3CCC(CCC4OCCO4)CC3)CC2)O1.
What is the InChIKey of 2-[2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]cyclohexyl]cyclohexyl]ethyl]-1,3-dioxolane?
The InChIKey is VFXYTYBCCBXJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O4/c1-7-19(8-2-17(1)5-11-21-23-13-14-24-21)20-9-3-18(4-10-20)6-12-22-25-15-16-26-22/h17-22H,1-16H2.
What are the key properties of 2-[2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]cyclohexyl]cyclohexyl]ethyl]-1,3-dioxolane?
2-[2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]cyclohexyl]cyclohexyl]ethyl]-1,3-dioxolane has a molecular weight of 366.54 g/mol, XLogP of 4.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]cyclohexyl]cyclohexyl]ethyl]-1,3-dioxolane is sourced from PubChem (CID 54389969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).