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

C16H30O — CID 90160887

IUPAC4-(3,4-dimethylcyclohexyl)oxy-1,2-dimethylcyclohexane
SMILESCC1CCC(OC2CCC(C)C(C)C2)CC1C
InChIInChI=1S/C16H30O/c1-11-5-7-15(9-13(11)3)17-16-8-6-12(2)14(4)10-16/h11-16H,5-10H2,1-4H3
InChIKeyGXEKFRXGZQHFPW-UHFFFAOYSA-N
MW238.41 g/mol
LogP4.65
Rot. Bonds2

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

4-(3,4-dimethylcyclohexyl)oxy-1,2-dimethylcyclohexane (PubChem CID 90160887) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 4-(3,4-dimethylcyclohexyl)oxy-1,2-dimethylcyclohexane.

Molecular Properties

Compound Name4-(3,4-dimethylcyclohexyl)oxy-1,2-dimethylcyclohexane
PubChem CID90160887
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name4-(3,4-dimethylcyclohexyl)oxy-1,2-dimethylcyclohexane
SMILESCC1CCC(OC2CCC(C)C(C)C2)CC1C
InChIInChI=1S/C16H30O/c1-11-5-7-15(9-13(11)3)17-16-8-6-12(2)14(4)10-16/h11-16H,5-10H2,1-4H3
InChIKeyGXEKFRXGZQHFPW-UHFFFAOYSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.41
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3,4-dimethylcyclohexyl)oxy-1,2-dimethylcyclohexane;ethane
CID 153365262
3-(3,4-dimethylcyclohexyl)oxyazetidine
CID 64744582
(3S)-3-(3,4-dimethylcyclohexyl)oxypyrrolidine
CID 115460446
3-(3,4-dimethylcyclohexyl)oxypyrrolidine
CID 64744772
methyl 4-(3,4-dimethylcyclohexyl)oxycyclohexane-1-carboxylate
CID 114450729
2-(3,4-dimethylcyclohexyl)oxycyclooctan-1-amine
CID 64747111
4-(3,4-dimethylcyclohexyl)oxy-3-methylpiperidine
CID 64744399
(3,4-dimethylcyclohexyl) nitrate
CID 139910390
3-(3,4-dimethylcyclohexyl)oxy-4-iodothiolane 1,1-dioxide
CID 114774398
2-(3,4-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexan-1-amine
CID 64746723
cyclopropyloxycyclopropane
CID 19900876
4-(3-bromo-2-propoxycyclobutyl)oxy-1,2-dimethylcyclohexane
CID 107943018

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylcyclohexyl)oxy-1,2-dimethylcyclohexane?
The IUPAC name of 4-(3,4-dimethylcyclohexyl)oxy-1,2-dimethylcyclohexane (CID 90160887) is 4-(3,4-dimethylcyclohexyl)oxy-1,2-dimethylcyclohexane.
What is the SMILES notation for 4-(3,4-dimethylcyclohexyl)oxy-1,2-dimethylcyclohexane?
The canonical SMILES for 4-(3,4-dimethylcyclohexyl)oxy-1,2-dimethylcyclohexane is CC1CCC(OC2CCC(C)C(C)C2)CC1C.
What is the InChIKey of 4-(3,4-dimethylcyclohexyl)oxy-1,2-dimethylcyclohexane?
The InChIKey is GXEKFRXGZQHFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-11-5-7-15(9-13(11)3)17-16-8-6-12(2)14(4)10-16/h11-16H,5-10H2,1-4H3.
What are the key properties of 4-(3,4-dimethylcyclohexyl)oxy-1,2-dimethylcyclohexane?
4-(3,4-dimethylcyclohexyl)oxy-1,2-dimethylcyclohexane has a molecular weight of 238.41 g/mol, XLogP of 4.65, 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 is sourced from PubChem (CID 90160887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).