4-(3,4-dimethylcyclohexyl)oxy-1,2-dimethylcyclohexane;ethane

C20H42O — CID 153365262

IUPAC4-(3,4-dimethylcyclohexyl)oxy-1,2-dimethylcyclohexane;ethane
SMILESCC.CC.CC1CCC(OC2CCC(C)C(C)C2)CC1C
InChIInChI=1S/C16H30O.2C2H6/c1-11-5-7-15(9-13(11)3)17-16-8-6-12(2)14(4)10-16;2*1-2/h11-16H,5-10H2,1-4H3;2*1-2H3
InChIKeyIWCJMQHMPAZYTM-UHFFFAOYSA-N
MW298.56 g/mol
LogP6.70
Rot. Bonds2

About 4-(3,4-dimethylcyclohexyl)oxy-1,2-dimethylcyclohexane;ethane

4-(3,4-dimethylcyclohexyl)oxy-1,2-dimethylcyclohexane;ethane (PubChem CID 153365262) has the molecular formula C20H42O and a molecular weight of 298.56 g/mol. Its IUPAC name is 4-(3,4-dimethylcyclohexyl)oxy-1,2-dimethylcyclohexane;ethane.

Molecular Properties

Compound Name4-(3,4-dimethylcyclohexyl)oxy-1,2-dimethylcyclohexane;ethane
PubChem CID153365262
Molecular FormulaC20H42O
Molecular Weight298.56 g/mol
Exact Mass298.32
IUPAC Name4-(3,4-dimethylcyclohexyl)oxy-1,2-dimethylcyclohexane;ethane
SMILESCC.CC.CC1CCC(OC2CCC(C)C(C)C2)CC1C
InChIInChI=1S/C16H30O.2C2H6/c1-11-5-7-15(9-13(11)3)17-16-8-6-12(2)14(4)10-16;2*1-2/h11-16H,5-10H2,1-4H3;2*1-2H3
InChIKeyIWCJMQHMPAZYTM-UHFFFAOYSA-N
XLogP6.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.56
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylcyclohexyl)oxy-1,2-dimethylcyclohexane;ethane?
The IUPAC name of 4-(3,4-dimethylcyclohexyl)oxy-1,2-dimethylcyclohexane;ethane (CID 153365262) is 4-(3,4-dimethylcyclohexyl)oxy-1,2-dimethylcyclohexane;ethane.
What is the SMILES notation for 4-(3,4-dimethylcyclohexyl)oxy-1,2-dimethylcyclohexane;ethane?
The canonical SMILES for 4-(3,4-dimethylcyclohexyl)oxy-1,2-dimethylcyclohexane;ethane is CC.CC.CC1CCC(OC2CCC(C)C(C)C2)CC1C.
What is the InChIKey of 4-(3,4-dimethylcyclohexyl)oxy-1,2-dimethylcyclohexane;ethane?
The InChIKey is IWCJMQHMPAZYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O.2C2H6/c1-11-5-7-15(9-13(11)3)17-16-8-6-12(2)14(4)10-16;2*1-2/h11-16H,5-10H2,1-4H3;2*1-2H3.
What are the key properties of 4-(3,4-dimethylcyclohexyl)oxy-1,2-dimethylcyclohexane;ethane?
4-(3,4-dimethylcyclohexyl)oxy-1,2-dimethylcyclohexane;ethane has a molecular weight of 298.56 g/mol, XLogP of 6.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylcyclohexyl)oxy-1,2-dimethylcyclohexane;ethane is sourced from PubChem (CID 153365262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).