6-tert-butyl-4-methoxy-2,3,3,4,5-pentamethyloxane

C15H30O2 — CID 20675641

IUPAC6-tert-butyl-4-methoxy-2,3,3,4,5-pentamethyloxane
SMILESCOC1(C)C(C)C(C(C)(C)C)OC(C)C1(C)C
InChIInChI=1S/C15H30O2/c1-10-12(13(3,4)5)17-11(2)14(6,7)15(10,8)16-9/h10-12H,1-9H3
InChIKeyJNZUKTJTMUGDRM-UHFFFAOYSA-N
MW242.40 g/mol
LogP3.89
Rot. Bonds1

About 6-tert-butyl-4-methoxy-2,3,3,4,5-pentamethyloxane

6-tert-butyl-4-methoxy-2,3,3,4,5-pentamethyloxane (PubChem CID 20675641) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 6-tert-butyl-4-methoxy-2,3,3,4,5-pentamethyloxane.

Molecular Properties

Compound Name6-tert-butyl-4-methoxy-2,3,3,4,5-pentamethyloxane
PubChem CID20675641
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name6-tert-butyl-4-methoxy-2,3,3,4,5-pentamethyloxane
SMILESCOC1(C)C(C)C(C(C)(C)C)OC(C)C1(C)C
InChIInChI=1S/C15H30O2/c1-10-12(13(3,4)5)17-11(2)14(6,7)15(10,8)16-9/h10-12H,1-9H3
InChIKeyJNZUKTJTMUGDRM-UHFFFAOYSA-N
XLogP3.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-isopropyl-2,6-diethyl-2-methyltetrahydro-2H-pyran
CID 45274957
2H-Pyran, tetrahydro-4-methyl-2-(2-methylpropyl)-
CID 114530
2H-Pyran-4-ol, 2-(1-ethylpropyl)tetrahydro-4-methyl-
CID 44464839
(2S,4S)-4-Methyl-2-(2-methylpropyl)oxane
CID 12684605
(2S,5R)-2-tert-butyl-5-methyloxane
CID 90348358
2-Methyl-3-amyltetrahydropyran
CID 129789661
(2R,4S)-2-tert-butyl-4-methyloxane
CID 132040256
(3R)-2,3-ditert-butyl-6-(fluoromethyl)oxane
CID 89936042
(4R,5S)-5-fluoro-2-[2-(3-methoxy-1-bicyclo[1.1.1]pentanyl)propyl]-4-methyloxane
CID 167163087
2-Tert-butyl-5-fluoro-4,5-dimethyloxane
CID 170179077
2,2,3-Trimethyl-6-propyltetra-hydropyran
CID 129788753
3-Methyl-2,6-dipropyltetra-hydropyran
CID 129789109

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-methoxy-2,3,3,4,5-pentamethyloxane?
The IUPAC name of 6-tert-butyl-4-methoxy-2,3,3,4,5-pentamethyloxane (CID 20675641) is 6-tert-butyl-4-methoxy-2,3,3,4,5-pentamethyloxane.
What is the SMILES notation for 6-tert-butyl-4-methoxy-2,3,3,4,5-pentamethyloxane?
The canonical SMILES for 6-tert-butyl-4-methoxy-2,3,3,4,5-pentamethyloxane is COC1(C)C(C)C(C(C)(C)C)OC(C)C1(C)C.
What is the InChIKey of 6-tert-butyl-4-methoxy-2,3,3,4,5-pentamethyloxane?
The InChIKey is JNZUKTJTMUGDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-10-12(13(3,4)5)17-11(2)14(6,7)15(10,8)16-9/h10-12H,1-9H3.
What are the key properties of 6-tert-butyl-4-methoxy-2,3,3,4,5-pentamethyloxane?
6-tert-butyl-4-methoxy-2,3,3,4,5-pentamethyloxane has a molecular weight of 242.40 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-methoxy-2,3,3,4,5-pentamethyloxane is sourced from PubChem (CID 20675641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).