2,6-dimethoxy-1,1-bis(2-methylpropyl)cyclohexane

C16H32O2 — CID 22020713

IUPAC2,6-dimethoxy-1,1-bis(2-methylpropyl)cyclohexane
SMILESCOC1CCCC(OC)C1(CC(C)C)CC(C)C
InChIInChI=1S/C16H32O2/c1-12(2)10-16(11-13(3)4)14(17-5)8-7-9-15(16)18-6/h12-15H,7-11H2,1-6H3
InChIKeyYBUJIRPSVPBTQV-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.28
Rot. Bonds6

About 2,6-dimethoxy-1,1-bis(2-methylpropyl)cyclohexane

2,6-dimethoxy-1,1-bis(2-methylpropyl)cyclohexane (PubChem CID 22020713) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 2,6-dimethoxy-1,1-bis(2-methylpropyl)cyclohexane.

Molecular Properties

Compound Name2,6-dimethoxy-1,1-bis(2-methylpropyl)cyclohexane
PubChem CID22020713
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name2,6-dimethoxy-1,1-bis(2-methylpropyl)cyclohexane
SMILESCOC1CCCC(OC)C1(CC(C)C)CC(C)C
InChIInChI=1S/C16H32O2/c1-12(2)10-16(11-13(3)4)14(17-5)8-7-9-15(16)18-6/h12-15H,7-11H2,1-6H3
InChIKeyYBUJIRPSVPBTQV-UHFFFAOYSA-N
XLogP4.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-1,1-bis(2-methylpropyl)cyclohexane?
The IUPAC name of 2,6-dimethoxy-1,1-bis(2-methylpropyl)cyclohexane (CID 22020713) is 2,6-dimethoxy-1,1-bis(2-methylpropyl)cyclohexane.
What is the SMILES notation for 2,6-dimethoxy-1,1-bis(2-methylpropyl)cyclohexane?
The canonical SMILES for 2,6-dimethoxy-1,1-bis(2-methylpropyl)cyclohexane is COC1CCCC(OC)C1(CC(C)C)CC(C)C.
What is the InChIKey of 2,6-dimethoxy-1,1-bis(2-methylpropyl)cyclohexane?
The InChIKey is YBUJIRPSVPBTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-12(2)10-16(11-13(3)4)14(17-5)8-7-9-15(16)18-6/h12-15H,7-11H2,1-6H3.
What are the key properties of 2,6-dimethoxy-1,1-bis(2-methylpropyl)cyclohexane?
2,6-dimethoxy-1,1-bis(2-methylpropyl)cyclohexane has a molecular weight of 256.43 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-1,1-bis(2-methylpropyl)cyclohexane is sourced from PubChem (CID 22020713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).