6-tert-butyl-2,3,4,5-tetrahydropyran-6-ide

C9H17O- — CID 150810207

IUPAC6-tert-butyl-2,3,4,5-tetrahydropyran-6-ide
SMILESCC(C)(C)[C-]1CCCCO1
InChIInChI=1S/C9H17O/c1-9(2,3)8-6-4-5-7-10-8/h4-7H2,1-3H3/q-1
InChIKeyKHSPPHIEHZWMHG-UHFFFAOYSA-N
MW141.23 g/mol
LogP2.76
Rot. Bonds

About 6-tert-butyl-2,3,4,5-tetrahydropyran-6-ide

6-tert-butyl-2,3,4,5-tetrahydropyran-6-ide (PubChem CID 150810207) has the molecular formula C9H17O- and a molecular weight of 141.23 g/mol. Its IUPAC name is 6-tert-butyl-2,3,4,5-tetrahydropyran-6-ide.

Molecular Properties

Compound Name6-tert-butyl-2,3,4,5-tetrahydropyran-6-ide
PubChem CID150810207
Molecular FormulaC9H17O-
Molecular Weight141.23 g/mol
Exact Mass141.13
IUPAC Name6-tert-butyl-2,3,4,5-tetrahydropyran-6-ide
SMILESCC(C)(C)[C-]1CCCCO1
InChIInChI=1S/C9H17O/c1-9(2,3)8-6-4-5-7-10-8/h4-7H2,1-3H3/q-1
InChIKeyKHSPPHIEHZWMHG-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-tert-butyl-2,3,4,5-tetrahydropyran-6-ide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Tert-butyloxane
CID 21482440
a-(2,2-Dimethylpropyl)tetrahydrofuran
CID 21304846
4-Methyl-4-propyloxane
CID 57602887
5-Trimethyl oxane
CID 58787548
(2S,5R)-2-tert-butyl-5-methyloxane
CID 90348358
3-Methyl-6-propyltetrahydropyran
CID 129806384
(2R,4S)-2-tert-butyl-4-methyloxane
CID 132040256
2-Butyl-3,3-dimethyloxetane
CID 135050726
3-Fluoro-6,6-dimethyl-1-[(2-methylpropan-2-yl)oxy]heptane
CID 126653137
2-Tert-butyl-4,4-difluorooxane
CID 168743168
2-Tert-butyl-5,5-difluorooxane
CID 168743279
2-Tert-butyl-5-fluoro-4,5-dimethyloxane
CID 170179077

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2,3,4,5-tetrahydropyran-6-ide?
The IUPAC name of 6-tert-butyl-2,3,4,5-tetrahydropyran-6-ide (CID 150810207) is 6-tert-butyl-2,3,4,5-tetrahydropyran-6-ide.
What is the SMILES notation for 6-tert-butyl-2,3,4,5-tetrahydropyran-6-ide?
The canonical SMILES for 6-tert-butyl-2,3,4,5-tetrahydropyran-6-ide is CC(C)(C)[C-]1CCCCO1.
What is the InChIKey of 6-tert-butyl-2,3,4,5-tetrahydropyran-6-ide?
The InChIKey is KHSPPHIEHZWMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O/c1-9(2,3)8-6-4-5-7-10-8/h4-7H2,1-3H3/q-1.
What are the key properties of 6-tert-butyl-2,3,4,5-tetrahydropyran-6-ide?
6-tert-butyl-2,3,4,5-tetrahydropyran-6-ide has a molecular weight of 141.23 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2,3,4,5-tetrahydropyran-6-ide is sourced from PubChem (CID 150810207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).