[2-cyclohexyl-1,3-bis(2-methylpropoxy)propan-2-yl]cyclohexane

C23H44O2 — CID 22372616

IUPAC[2-cyclohexyl-1,3-bis(2-methylpropoxy)propan-2-yl]cyclohexane
SMILESCC(C)COCC(COCC(C)C)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C23H44O2/c1-19(2)15-24-17-23(18-25-16-20(3)4,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h19-22H,5-18H2,1-4H3
InChIKeyWWIUAZQSAPPYNG-UHFFFAOYSA-N
MW352.60 g/mol
LogP6.48
Rot. Bonds10

About [2-cyclohexyl-1,3-bis(2-methylpropoxy)propan-2-yl]cyclohexane

[2-cyclohexyl-1,3-bis(2-methylpropoxy)propan-2-yl]cyclohexane (PubChem CID 22372616) has the molecular formula C23H44O2 and a molecular weight of 352.60 g/mol. Its IUPAC name is [2-cyclohexyl-1,3-bis(2-methylpropoxy)propan-2-yl]cyclohexane.

Molecular Properties

Compound Name[2-cyclohexyl-1,3-bis(2-methylpropoxy)propan-2-yl]cyclohexane
PubChem CID22372616
Molecular FormulaC23H44O2
Molecular Weight352.60 g/mol
Exact Mass352.33
IUPAC Name[2-cyclohexyl-1,3-bis(2-methylpropoxy)propan-2-yl]cyclohexane
SMILESCC(C)COCC(COCC(C)C)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C23H44O2/c1-19(2)15-24-17-23(18-25-16-20(3)4,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h19-22H,5-18H2,1-4H3
InChIKeyWWIUAZQSAPPYNG-UHFFFAOYSA-N
XLogP6.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.60
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-2-(2-methylpropoxy)ethanone
CID 104751697
2-methylpropyl 2-cyclohexyl-2-methylpropanoate
CID 162502207
3-cyclopentylpentan-3-ylcyclohexane
CID 91156849
1-cyclohexyl-2-[2-(2-methylpropoxy)ethoxy]ethanone
CID 106448351
2-cyclopropyl-2-(methylamino)-3-(2-methylpropoxy)propan-1-ol
CID 64802778
2-cyclopropyl-3-(2-methylpropoxy)-2-(propylamino)propanenitrile
CID 63906489
3-(2-methylpropoxy)prop-1-ynylcyclohexane
CID 130395195
2-methyl-1-(2,2,2-trichloroethoxy)propane
CID 138495364
1,2-bis(2-methylpropoxymethyl)cyclopentane
CID 90987862
2-amino-2-cyclopropyl-3-[2-(2-methylpropoxy)ethoxy]propan-1-ol
CID 106450721
bis(2-methylpropyl) 2-cyclohexyl-2-(2-methylpropyl)propanedioate
CID 118088527
methyl 2-cyclopropyl-2-(ethylamino)-3-(2-methylpropoxy)propanoate
CID 63921337

Frequently Asked Questions

What is the IUPAC name of [2-cyclohexyl-1,3-bis(2-methylpropoxy)propan-2-yl]cyclohexane?
The IUPAC name of [2-cyclohexyl-1,3-bis(2-methylpropoxy)propan-2-yl]cyclohexane (CID 22372616) is [2-cyclohexyl-1,3-bis(2-methylpropoxy)propan-2-yl]cyclohexane.
What is the SMILES notation for [2-cyclohexyl-1,3-bis(2-methylpropoxy)propan-2-yl]cyclohexane?
The canonical SMILES for [2-cyclohexyl-1,3-bis(2-methylpropoxy)propan-2-yl]cyclohexane is CC(C)COCC(COCC(C)C)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of [2-cyclohexyl-1,3-bis(2-methylpropoxy)propan-2-yl]cyclohexane?
The InChIKey is WWIUAZQSAPPYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44O2/c1-19(2)15-24-17-23(18-25-16-20(3)4,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h19-22H,5-18H2,1-4H3.
What are the key properties of [2-cyclohexyl-1,3-bis(2-methylpropoxy)propan-2-yl]cyclohexane?
[2-cyclohexyl-1,3-bis(2-methylpropoxy)propan-2-yl]cyclohexane has a molecular weight of 352.60 g/mol, XLogP of 6.48, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclohexyl-1,3-bis(2-methylpropoxy)propan-2-yl]cyclohexane is sourced from PubChem (CID 22372616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).