1-propan-2-yloxy-4-[2-(4-propan-2-yloxycyclohexyl)propan-2-yl]cyclohexane

C21H40O2 — CID 140623503

IUPAC1-propan-2-yloxy-4-[2-(4-propan-2-yloxycyclohexyl)propan-2-yl]cyclohexane
SMILESCC(C)OC1CCC(C(C)(C)C2CCC(OC(C)C)CC2)CC1
InChIInChI=1S/C21H40O2/c1-15(2)22-19-11-7-17(8-12-19)21(5,6)18-9-13-20(14-10-18)23-16(3)4/h15-20H,7-14H2,1-6H3
InChIKeyKJNYRHYVKDTLOS-UHFFFAOYSA-N
MW324.55 g/mol
LogP5.98
Rot. Bonds6

About 1-propan-2-yloxy-4-[2-(4-propan-2-yloxycyclohexyl)propan-2-yl]cyclohexane

1-propan-2-yloxy-4-[2-(4-propan-2-yloxycyclohexyl)propan-2-yl]cyclohexane (PubChem CID 140623503) has the molecular formula C21H40O2 and a molecular weight of 324.55 g/mol. Its IUPAC name is 1-propan-2-yloxy-4-[2-(4-propan-2-yloxycyclohexyl)propan-2-yl]cyclohexane.

Molecular Properties

Compound Name1-propan-2-yloxy-4-[2-(4-propan-2-yloxycyclohexyl)propan-2-yl]cyclohexane
PubChem CID140623503
Molecular FormulaC21H40O2
Molecular Weight324.55 g/mol
Exact Mass324.30
IUPAC Name1-propan-2-yloxy-4-[2-(4-propan-2-yloxycyclohexyl)propan-2-yl]cyclohexane
SMILESCC(C)OC1CCC(C(C)(C)C2CCC(OC(C)C)CC2)CC1
InChIInChI=1S/C21H40O2/c1-15(2)22-19-11-7-17(8-12-19)21(5,6)18-9-13-20(14-10-18)23-16(3)4/h15-20H,7-14H2,1-6H3
InChIKeyKJNYRHYVKDTLOS-UHFFFAOYSA-N
XLogP5.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.55
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4',4''(5'')-Di-tert-butyldicyclohexano-18-crown-6
CID 3038127
(trans,trans)-4-Propoxy-4'-propyl-1,1'-bicyclohexyl
CID 545355
1-Ethoxy-4-(2-methylbutan-2-yl)cyclohexane
CID 18974564
1-Methoxy-4-tert-pentylcyclohexane
CID 3420996
1-Methoxy-4-(4-propylcyclohexyl)cyclohexane
CID 556851
1,1'-Bicyclohexyl, 4-methoxy-4'-pentyl-
CID 556870
1-Ethoxy-4-(4-pentylcyclohexyl)cyclohexane
CID 559127
(trans,trans)-4-Ethoxy-4'-propyl-1,1'-bicyclohexyl
CID 559130
2,2'-((1-Methylethylidene)bis(cyclohexane-4,1-diyloxymethylene))bisoxirane
CID 114514
2,14-Di-tert-butylicosahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine
CID 4096811
4-tert-Butylcyclohexano-15-crown-5
CID 3293438
1-[(4-Pentylcyclohexoxy)methyl]-4-(4-propylcyclohexyl)cyclohexane
CID 22886322

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxy-4-[2-(4-propan-2-yloxycyclohexyl)propan-2-yl]cyclohexane?
The IUPAC name of 1-propan-2-yloxy-4-[2-(4-propan-2-yloxycyclohexyl)propan-2-yl]cyclohexane (CID 140623503) is 1-propan-2-yloxy-4-[2-(4-propan-2-yloxycyclohexyl)propan-2-yl]cyclohexane.
What is the SMILES notation for 1-propan-2-yloxy-4-[2-(4-propan-2-yloxycyclohexyl)propan-2-yl]cyclohexane?
The canonical SMILES for 1-propan-2-yloxy-4-[2-(4-propan-2-yloxycyclohexyl)propan-2-yl]cyclohexane is CC(C)OC1CCC(C(C)(C)C2CCC(OC(C)C)CC2)CC1.
What is the InChIKey of 1-propan-2-yloxy-4-[2-(4-propan-2-yloxycyclohexyl)propan-2-yl]cyclohexane?
The InChIKey is KJNYRHYVKDTLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40O2/c1-15(2)22-19-11-7-17(8-12-19)21(5,6)18-9-13-20(14-10-18)23-16(3)4/h15-20H,7-14H2,1-6H3.
What are the key properties of 1-propan-2-yloxy-4-[2-(4-propan-2-yloxycyclohexyl)propan-2-yl]cyclohexane?
1-propan-2-yloxy-4-[2-(4-propan-2-yloxycyclohexyl)propan-2-yl]cyclohexane has a molecular weight of 324.55 g/mol, XLogP of 5.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxy-4-[2-(4-propan-2-yloxycyclohexyl)propan-2-yl]cyclohexane is sourced from PubChem (CID 140623503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).