(6S)-2,2,6-trimethyloxane

C8H16O — CID 92288138

IUPAC(6S)-2,2,6-trimethyloxane
SMILESC[C@H]1CCCC(O1)(C)C
InChIInChI=1S/C8H16O/c1-7-5-4-6-8(2,3)9-7/h7H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyPNKOSUMBMGVBPO-ZETCQYMHSA-N
MW128.21 g/mol
LogP2.00
Rot. Bonds

About (6S)-2,2,6-trimethyloxane

(6S)-2,2,6-trimethyloxane (PubChem CID 92288138) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is (6S)-2,2,6-trimethyloxane.

Molecular Properties

Compound Name(6S)-2,2,6-trimethyloxane
PubChem CID92288138
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name(6S)-2,2,6-trimethyloxane
SMILESC[C@H]1CCCC(O1)(C)C
InChIInChI=1S/C8H16O/c1-7-5-4-6-8(2,3)9-7/h7H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyPNKOSUMBMGVBPO-ZETCQYMHSA-N
XLogP2.00
TPSA9.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity96

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-isopropyl-2,6-diethyl-2-methyltetrahydro-2H-pyran
CID 45274957
2,2-Dimethyloxane
CID 12395962
Tetrahydro-2,2,6-trimethyl-2H-pyran
CID 122554
5-Isopropyl-2,2-dimethyltetrahydrofuran
CID 557225
2-Tert-butyloxane
CID 21482440
6-Methyl-2-heptanol, methyl ether
CID 22151529
Oxirane, 3-butyl-2,2-dimethyl-
CID 10953528
2,2,6,6-Tetramethyloxane
CID 12593435
2,4,6-Trimethyltetrahydropyrane
CID 13776990
2,6-Dimethyl-4-ethyltetrahydropyrane
CID 22965776
2,2,6,6-Tetramethyloxan-4-ol
CID 66640734
3-Methyl-6-propyltetrahydropyran
CID 129806384

Frequently Asked Questions

What is the IUPAC name of (6S)-2,2,6-trimethyloxane?
The IUPAC name of (6S)-2,2,6-trimethyloxane (CID 92288138) is (6S)-2,2,6-trimethyloxane.
What is the SMILES notation for (6S)-2,2,6-trimethyloxane?
The canonical SMILES for (6S)-2,2,6-trimethyloxane is C[C@H]1CCCC(O1)(C)C.
What is the InChIKey of (6S)-2,2,6-trimethyloxane?
The InChIKey is PNKOSUMBMGVBPO-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16O/c1-7-5-4-6-8(2,3)9-7/h7H,4-6H2,1-3H3/t7-/m0/s1.
What are the key properties of (6S)-2,2,6-trimethyloxane?
(6S)-2,2,6-trimethyloxane has a molecular weight of 128.21 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2,2,6-trimethyloxane is sourced from PubChem (CID 92288138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).