1-[2,3-di(propan-2-yloxy)propoxy]-4-[2-[4-[2,3-di(propan-2-yloxy)propoxy]cyclohexyl]propan-2-yl]cyclohexane

C33H64O6 — CID 135274447

IUPAC1-[2,3-di(propan-2-yloxy)propoxy]-4-[2-[4-[2,3-di(propan-2-yloxy)propoxy]cyclohexyl]propan-2-yl]cyclohexane
SMILESCC(C)OCC(COC1CCC(C(C)(C)C2CCC(OCC(COC(C)C)OC(C)C)CC2)CC1)OC(C)C
InChIInChI=1S/C33H64O6/c1-23(2)34-19-31(38-25(5)6)21-36-29-15-11-27(12-16-29)33(9,10)28-13-17-30(18-14-28)37-22-32(39-26(7)8)20-35-24(3)4/h23-32H,11-22H2,1-10H3
InChIKeyBHMPHFRZZWWWHY-UHFFFAOYSA-N
MW556.87 g/mol
LogP7.60
Rot. Bonds18

About 1-[2,3-di(propan-2-yloxy)propoxy]-4-[2-[4-[2,3-di(propan-2-yloxy)propoxy]cyclohexyl]propan-2-yl]cyclohexane

1-[2,3-di(propan-2-yloxy)propoxy]-4-[2-[4-[2,3-di(propan-2-yloxy)propoxy]cyclohexyl]propan-2-yl]cyclohexane (PubChem CID 135274447) has the molecular formula C33H64O6 and a molecular weight of 556.87 g/mol. Its IUPAC name is 1-[2,3-di(propan-2-yloxy)propoxy]-4-[2-[4-[2,3-di(propan-2-yloxy)propoxy]cyclohexyl]propan-2-yl]cyclohexane.

Molecular Properties

Compound Name1-[2,3-di(propan-2-yloxy)propoxy]-4-[2-[4-[2,3-di(propan-2-yloxy)propoxy]cyclohexyl]propan-2-yl]cyclohexane
PubChem CID135274447
Molecular FormulaC33H64O6
Molecular Weight556.87 g/mol
Exact Mass556.47
IUPAC Name1-[2,3-di(propan-2-yloxy)propoxy]-4-[2-[4-[2,3-di(propan-2-yloxy)propoxy]cyclohexyl]propan-2-yl]cyclohexane
SMILESCC(C)OCC(COC1CCC(C(C)(C)C2CCC(OCC(COC(C)C)OC(C)C)CC2)CC1)OC(C)C
InChIInChI=1S/C33H64O6/c1-23(2)34-19-31(38-25(5)6)21-36-29-15-11-27(12-16-29)33(9,10)28-13-17-30(18-14-28)37-22-32(39-26(7)8)20-35-24(3)4/h23-32H,11-22H2,1-10H3
InChIKeyBHMPHFRZZWWWHY-UHFFFAOYSA-N
XLogP7.60
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.87
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2,3-di(propan-2-yloxy)propoxy]-4-[2-[4-[2,3-di(propan-2-yloxy)propoxy]cyclohexyl]propan-2-yl]cyclohexane?
The IUPAC name of 1-[2,3-di(propan-2-yloxy)propoxy]-4-[2-[4-[2,3-di(propan-2-yloxy)propoxy]cyclohexyl]propan-2-yl]cyclohexane (CID 135274447) is 1-[2,3-di(propan-2-yloxy)propoxy]-4-[2-[4-[2,3-di(propan-2-yloxy)propoxy]cyclohexyl]propan-2-yl]cyclohexane.
What is the SMILES notation for 1-[2,3-di(propan-2-yloxy)propoxy]-4-[2-[4-[2,3-di(propan-2-yloxy)propoxy]cyclohexyl]propan-2-yl]cyclohexane?
The canonical SMILES for 1-[2,3-di(propan-2-yloxy)propoxy]-4-[2-[4-[2,3-di(propan-2-yloxy)propoxy]cyclohexyl]propan-2-yl]cyclohexane is CC(C)OCC(COC1CCC(C(C)(C)C2CCC(OCC(COC(C)C)OC(C)C)CC2)CC1)OC(C)C.
What is the InChIKey of 1-[2,3-di(propan-2-yloxy)propoxy]-4-[2-[4-[2,3-di(propan-2-yloxy)propoxy]cyclohexyl]propan-2-yl]cyclohexane?
The InChIKey is BHMPHFRZZWWWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H64O6/c1-23(2)34-19-31(38-25(5)6)21-36-29-15-11-27(12-16-29)33(9,10)28-13-17-30(18-14-28)37-22-32(39-26(7)8)20-35-24(3)4/h23-32H,11-22H2,1-10H3.
What are the key properties of 1-[2,3-di(propan-2-yloxy)propoxy]-4-[2-[4-[2,3-di(propan-2-yloxy)propoxy]cyclohexyl]propan-2-yl]cyclohexane?
1-[2,3-di(propan-2-yloxy)propoxy]-4-[2-[4-[2,3-di(propan-2-yloxy)propoxy]cyclohexyl]propan-2-yl]cyclohexane has a molecular weight of 556.87 g/mol, XLogP of 7.60, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-di(propan-2-yloxy)propoxy]-4-[2-[4-[2,3-di(propan-2-yloxy)propoxy]cyclohexyl]propan-2-yl]cyclohexane is sourced from PubChem (CID 135274447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).