1-tert-butyl-2,4-dimethoxycyclohexane

C12H24O2 — CID 140726408

IUPAC1-tert-butyl-2,4-dimethoxycyclohexane
SMILESCOC1CCC(C(C)(C)C)C(OC)C1
InChIInChI=1S/C12H24O2/c1-12(2,3)10-7-6-9(13-4)8-11(10)14-5/h9-11H,6-8H2,1-5H3
InChIKeyPNXVBJNENXWYQC-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.86
Rot. Bonds2

About 1-tert-butyl-2,4-dimethoxycyclohexane

1-tert-butyl-2,4-dimethoxycyclohexane (PubChem CID 140726408) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1-tert-butyl-2,4-dimethoxycyclohexane.

Molecular Properties

Compound Name1-tert-butyl-2,4-dimethoxycyclohexane
PubChem CID140726408
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name1-tert-butyl-2,4-dimethoxycyclohexane
SMILESCOC1CCC(C(C)(C)C)C(OC)C1
InChIInChI=1S/C12H24O2/c1-12(2,3)10-7-6-9(13-4)8-11(10)14-5/h9-11H,6-8H2,1-5H3
InChIKeyPNXVBJNENXWYQC-UHFFFAOYSA-N
XLogP2.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,4-dimethoxycyclohexane?
The IUPAC name of 1-tert-butyl-2,4-dimethoxycyclohexane (CID 140726408) is 1-tert-butyl-2,4-dimethoxycyclohexane.
What is the SMILES notation for 1-tert-butyl-2,4-dimethoxycyclohexane?
The canonical SMILES for 1-tert-butyl-2,4-dimethoxycyclohexane is COC1CCC(C(C)(C)C)C(OC)C1.
What is the InChIKey of 1-tert-butyl-2,4-dimethoxycyclohexane?
The InChIKey is PNXVBJNENXWYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-12(2,3)10-7-6-9(13-4)8-11(10)14-5/h9-11H,6-8H2,1-5H3.
What are the key properties of 1-tert-butyl-2,4-dimethoxycyclohexane?
1-tert-butyl-2,4-dimethoxycyclohexane has a molecular weight of 200.32 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,4-dimethoxycyclohexane is sourced from PubChem (CID 140726408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).