4-tert-butyl-1,1-dimethoxycyclohexane

C12H24O2 — CID 10921547

IUPAC4-tert-butyl-1,1-dimethoxycyclohexane
SMILESCOC1(OC)CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H24O2/c1-11(2,3)10-6-8-12(13-4,14-5)9-7-10/h10H,6-9H2,1-5H3
InChIKeyMYWHEWYKUYIXJX-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.21
Rot. Bonds2

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

4-tert-butyl-1,1-dimethoxycyclohexane (PubChem CID 10921547) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 4-tert-butyl-1,1-dimethoxycyclohexane.

Molecular Properties

Compound Name4-tert-butyl-1,1-dimethoxycyclohexane
PubChem CID10921547
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name4-tert-butyl-1,1-dimethoxycyclohexane
SMILESCOC1(OC)CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H24O2/c1-11(2,3)10-6-8-12(13-4,14-5)9-7-10/h10H,6-9H2,1-5H3
InChIKeyMYWHEWYKUYIXJX-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,1-dimethoxycyclohexane?
The IUPAC name of 4-tert-butyl-1,1-dimethoxycyclohexane (CID 10921547) is 4-tert-butyl-1,1-dimethoxycyclohexane.
What is the SMILES notation for 4-tert-butyl-1,1-dimethoxycyclohexane?
The canonical SMILES for 4-tert-butyl-1,1-dimethoxycyclohexane is COC1(OC)CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1,1-dimethoxycyclohexane?
The InChIKey is MYWHEWYKUYIXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-11(2,3)10-6-8-12(13-4,14-5)9-7-10/h10H,6-9H2,1-5H3.
What are the key properties of 4-tert-butyl-1,1-dimethoxycyclohexane?
4-tert-butyl-1,1-dimethoxycyclohexane has a molecular weight of 200.32 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,1-dimethoxycyclohexane is sourced from PubChem (CID 10921547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).