4-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-propan-2-ylcyclohexane

C20H38O — CID 23139786

IUPAC4-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-propan-2-ylcyclohexane
SMILESCC1CCC(C(C)C)C(OC2CC(C)CCC2C(C)C)C1
InChIInChI=1S/C20H38O/c1-13(2)17-9-7-15(5)11-19(17)21-20-12-16(6)8-10-18(20)14(3)4/h13-20H,7-12H2,1-6H3
InChIKeyMKNXSXHFZBPBCK-UHFFFAOYSA-N
MW294.52 g/mol
LogP5.92
Rot. Bonds4

About 4-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-propan-2-ylcyclohexane

4-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-propan-2-ylcyclohexane (PubChem CID 23139786) has the molecular formula C20H38O and a molecular weight of 294.52 g/mol. Its IUPAC name is 4-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name4-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-propan-2-ylcyclohexane
PubChem CID23139786
Molecular FormulaC20H38O
Molecular Weight294.52 g/mol
Exact Mass294.29
IUPAC Name4-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-propan-2-ylcyclohexane
SMILESCC1CCC(C(C)C)C(OC2CC(C)CCC2C(C)C)C1
InChIInChI=1S/C20H38O/c1-13(2)17-9-7-15(5)11-19(17)21-20-12-16(6)8-10-18(20)14(3)4/h13-20H,7-12H2,1-6H3
InChIKeyMKNXSXHFZBPBCK-UHFFFAOYSA-N
XLogP5.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.52
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Menthyl methyl ether, (-)-
CID 228343
(trans,trans)-4-Propoxy-4'-propyl-1,1'-bicyclohexyl
CID 545355
1-Menthyl methyl ether
CID 102648
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, triester with boric acid (H3BO3)
CID 4452360
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
4-(Methoxymethyl)-4'-pentyl-1,1'-bi(cyclohexane)
CID 565313
4-Methyl-2-[(5-methyl-2-propan-2-ylcyclohexyl)oxydisulfanyl]oxy-1-propan-2-ylcyclohexane
CID 59444438
Menthyl borate
CID 102455
1-[(4-Pentylcyclohexoxy)methyl]-4-(4-propylcyclohexyl)cyclohexane
CID 22886322

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-propan-2-ylcyclohexane?
The IUPAC name of 4-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-propan-2-ylcyclohexane (CID 23139786) is 4-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-propan-2-ylcyclohexane.
What is the SMILES notation for 4-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-propan-2-ylcyclohexane?
The canonical SMILES for 4-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-propan-2-ylcyclohexane is CC1CCC(C(C)C)C(OC2CC(C)CCC2C(C)C)C1.
What is the InChIKey of 4-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-propan-2-ylcyclohexane?
The InChIKey is MKNXSXHFZBPBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O/c1-13(2)17-9-7-15(5)11-19(17)21-20-12-16(6)8-10-18(20)14(3)4/h13-20H,7-12H2,1-6H3.
What are the key properties of 4-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-propan-2-ylcyclohexane?
4-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-propan-2-ylcyclohexane has a molecular weight of 294.52 g/mol, XLogP of 5.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-propan-2-ylcyclohexane is sourced from PubChem (CID 23139786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).