4-methyl-2-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethoxy]-1-propan-2-ylcyclohexane

C22H42O2 — CID 70268995

IUPAC4-methyl-2-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethoxy]-1-propan-2-ylcyclohexane
SMILESCC1CCC(C(C)C)C(OCCOC2CC(C)CCC2C(C)C)C1
InChIInChI=1S/C22H42O2/c1-15(2)19-9-7-17(5)13-21(19)23-11-12-24-22-14-18(6)8-10-20(22)16(3)4/h15-22H,7-14H2,1-6H3
InChIKeyIXZCXLULEHQAEJ-UHFFFAOYSA-N
MW338.58 g/mol
LogP5.94
Rot. Bonds7

About 4-methyl-2-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethoxy]-1-propan-2-ylcyclohexane

4-methyl-2-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethoxy]-1-propan-2-ylcyclohexane (PubChem CID 70268995) has the molecular formula C22H42O2 and a molecular weight of 338.58 g/mol. Its IUPAC name is 4-methyl-2-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethoxy]-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name4-methyl-2-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethoxy]-1-propan-2-ylcyclohexane
PubChem CID70268995
Molecular FormulaC22H42O2
Molecular Weight338.58 g/mol
Exact Mass338.32
IUPAC Name4-methyl-2-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethoxy]-1-propan-2-ylcyclohexane
SMILESCC1CCC(C(C)C)C(OCCOC2CC(C)CCC2C(C)C)C1
InChIInChI=1S/C22H42O2/c1-15(2)19-9-7-17(5)13-21(19)23-11-12-24-22-14-18(6)8-10-20(22)16(3)4/h15-22H,7-14H2,1-6H3
InChIKeyIXZCXLULEHQAEJ-UHFFFAOYSA-N
XLogP5.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.58
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethoxy]-1-propan-2-ylcyclohexane?
The IUPAC name of 4-methyl-2-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethoxy]-1-propan-2-ylcyclohexane (CID 70268995) is 4-methyl-2-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethoxy]-1-propan-2-ylcyclohexane.
What is the SMILES notation for 4-methyl-2-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethoxy]-1-propan-2-ylcyclohexane?
The canonical SMILES for 4-methyl-2-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethoxy]-1-propan-2-ylcyclohexane is CC1CCC(C(C)C)C(OCCOC2CC(C)CCC2C(C)C)C1.
What is the InChIKey of 4-methyl-2-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethoxy]-1-propan-2-ylcyclohexane?
The InChIKey is IXZCXLULEHQAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O2/c1-15(2)19-9-7-17(5)13-21(19)23-11-12-24-22-14-18(6)8-10-20(22)16(3)4/h15-22H,7-14H2,1-6H3.
What are the key properties of 4-methyl-2-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethoxy]-1-propan-2-ylcyclohexane?
4-methyl-2-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethoxy]-1-propan-2-ylcyclohexane has a molecular weight of 338.58 g/mol, XLogP of 5.94, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethoxy]-1-propan-2-ylcyclohexane is sourced from PubChem (CID 70268995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).