1-tert-butyl-3,5-dimethoxycyclohexane

C12H24O2 — CID 21063983

IUPAC1-tert-butyl-3,5-dimethoxycyclohexane
SMILESCOC1CC(OC)CC(C(C)(C)C)C1
InChIInChI=1S/C12H24O2/c1-12(2,3)9-6-10(13-4)8-11(7-9)14-5/h9-11H,6-8H2,1-5H3
InChIKeyQJJBSWZAOHEYDQ-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.86
Rot. Bonds2

About 1-tert-butyl-3,5-dimethoxycyclohexane

1-tert-butyl-3,5-dimethoxycyclohexane (PubChem CID 21063983) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1-tert-butyl-3,5-dimethoxycyclohexane.

Molecular Properties

Compound Name1-tert-butyl-3,5-dimethoxycyclohexane
PubChem CID21063983
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name1-tert-butyl-3,5-dimethoxycyclohexane
SMILESCOC1CC(OC)CC(C(C)(C)C)C1
InChIInChI=1S/C12H24O2/c1-12(2,3)9-6-10(13-4)8-11(7-9)14-5/h9-11H,6-8H2,1-5H3
InChIKeyQJJBSWZAOHEYDQ-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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Related Compounds

cis-(1S,3R)-5-tert-butylcyclohexane-1,3-diol
CID 89842369
5-tert-Butyl-1,3-cyclohexanediol
CID 545352
cis-3,5-Dimethoxymethylcyclohexane
CID 547290
trans-(1S,3S)-5-tert-butylcyclohexane-1,3-diol
CID 22213605
trans-(1R,3R)-5-tert-butylcyclohexane-1,3-diol
CID 134992714
1R-Ethoxy-3-cis-methoxy-5-cis-methylcyclohexane
CID 547218
1,3-Diethoxy-5-methylcyclohexane
CID 551764
1-Tert-butyl-3-ethoxycyclohexane
CID 17883762
3-Ethoxy-1-methyl-1-propan-2-ylcyclohexane
CID 20345160
1-Methoxy-4-(2-methoxypropan-2-yl)cyclohexane
CID 20387040
1-Ethyl-3,5-dimethoxycyclohexane
CID 20726910
1-Tert-butyl-3-methoxycyclohexane
CID 21720376

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,5-dimethoxycyclohexane?
The IUPAC name of 1-tert-butyl-3,5-dimethoxycyclohexane (CID 21063983) is 1-tert-butyl-3,5-dimethoxycyclohexane.
What is the SMILES notation for 1-tert-butyl-3,5-dimethoxycyclohexane?
The canonical SMILES for 1-tert-butyl-3,5-dimethoxycyclohexane is COC1CC(OC)CC(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-3,5-dimethoxycyclohexane?
The InChIKey is QJJBSWZAOHEYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-12(2,3)9-6-10(13-4)8-11(7-9)14-5/h9-11H,6-8H2,1-5H3.
What are the key properties of 1-tert-butyl-3,5-dimethoxycyclohexane?
1-tert-butyl-3,5-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-3,5-dimethoxycyclohexane is sourced from PubChem (CID 21063983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).