(3S)-2,3,4,5-tetramethyl-3,4,5,6-tetrahydro-2H-pyran-6-ylium

C9H17O+ — CID 134855303

IUPAC(3S)-2,3,4,5-tetramethyl-3,4,5,6-tetrahydro-2H-pyran-6-ylium
SMILESCC1[CH+]OC(C)[C@@H](C)C1C
InChIInChI=1S/C9H17O/c1-6-5-10-9(4)8(3)7(6)2/h5-9H,1-4H3/q+1/t6?,7?,8-,9?/m0/s1
InChIKeyCUQSLZVJHNBFDF-HZMRZXPBSA-N
MW141.23 g/mol
LogP2.48
Rot. Bonds

About (3S)-2,3,4,5-tetramethyl-3,4,5,6-tetrahydro-2H-pyran-6-ylium

(3S)-2,3,4,5-tetramethyl-3,4,5,6-tetrahydro-2H-pyran-6-ylium (PubChem CID 134855303) has the molecular formula C9H17O+ and a molecular weight of 141.23 g/mol. Its IUPAC name is (3S)-2,3,4,5-tetramethyl-3,4,5,6-tetrahydro-2H-pyran-6-ylium.

Molecular Properties

Compound Name(3S)-2,3,4,5-tetramethyl-3,4,5,6-tetrahydro-2H-pyran-6-ylium
PubChem CID134855303
Molecular FormulaC9H17O+
Molecular Weight141.23 g/mol
Exact Mass141.13
IUPAC Name(3S)-2,3,4,5-tetramethyl-3,4,5,6-tetrahydro-2H-pyran-6-ylium
SMILESCC1[CH+]OC(C)[C@@H](C)C1C
InChIInChI=1S/C9H17O/c1-6-5-10-9(4)8(3)7(6)2/h5-9H,1-4H3/q+1/t6?,7?,8-,9?/m0/s1
InChIKeyCUQSLZVJHNBFDF-HZMRZXPBSA-N
XLogP2.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.23
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2H-Pyran, tetrahydro-4-methyl-2-(2-methylpropyl)-
CID 114530
(2S,4S)-4-Methyl-2-(2-methylpropyl)oxane
CID 12684605
2,4,6-Trimethyltetrahydropyrane
CID 13776990
4-Isopropyltetrahydropyran
CID 18713057
2-Methylbutoxycyclohexane
CID 20746725
2,3,4,5-Tetramethyltetrahydrofuran
CID 22022762
2,6-Dimethyl-4-ethyltetrahydropyrane
CID 22965776
2-Methyl-3-propyltetrahydropyran
CID 57486098
5-Trimethyl oxane
CID 58787548
(3S,6S)-2,3,4,5,6-pentamethyloxane
CID 59823957
Trimethyl oxane
CID 67859835
2-Methyl-3-amyltetrahydropyran
CID 129789661

Frequently Asked Questions

What is the IUPAC name of (3S)-2,3,4,5-tetramethyl-3,4,5,6-tetrahydro-2H-pyran-6-ylium?
The IUPAC name of (3S)-2,3,4,5-tetramethyl-3,4,5,6-tetrahydro-2H-pyran-6-ylium (CID 134855303) is (3S)-2,3,4,5-tetramethyl-3,4,5,6-tetrahydro-2H-pyran-6-ylium.
What is the SMILES notation for (3S)-2,3,4,5-tetramethyl-3,4,5,6-tetrahydro-2H-pyran-6-ylium?
The canonical SMILES for (3S)-2,3,4,5-tetramethyl-3,4,5,6-tetrahydro-2H-pyran-6-ylium is CC1[CH+]OC(C)[C@@H](C)C1C.
What is the InChIKey of (3S)-2,3,4,5-tetramethyl-3,4,5,6-tetrahydro-2H-pyran-6-ylium?
The InChIKey is CUQSLZVJHNBFDF-HZMRZXPBSA-N. The full InChI is InChI=1S/C9H17O/c1-6-5-10-9(4)8(3)7(6)2/h5-9H,1-4H3/q+1/t6?,7?,8-,9?/m0/s1.
What are the key properties of (3S)-2,3,4,5-tetramethyl-3,4,5,6-tetrahydro-2H-pyran-6-ylium?
(3S)-2,3,4,5-tetramethyl-3,4,5,6-tetrahydro-2H-pyran-6-ylium has a molecular weight of 141.23 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,3,4,5-tetramethyl-3,4,5,6-tetrahydro-2H-pyran-6-ylium is sourced from PubChem (CID 134855303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).