2-[(1R,3R,6S)-2,2,3,6-tetramethylcyclohexyl]-1,3-dioxolane;2-[(1R,3R,6R)-2,2,3,6-tetramethylcyclohexyl]-1,3-dioxolane

C26H48O4 — CID 160551117

IUPAC2-[(1R,3R,6S)-2,2,3,6-tetramethylcyclohexyl]-1,3-dioxolane;2-[(1R,3R,6R)-2,2,3,6-tetramethylcyclohexyl]-1,3-dioxolane
SMILESC[C@@H]1CC[C@@H](C)C(C)(C)[C@@H]1C1OCCO1.C[C@@H]1CC[C@H](C)[C@@H](C2OCCO2)C1(C)C
InChIInChI=1S/2C13H24O2/c2*1-9-5-6-10(2)13(3,4)11(9)12-14-7-8-15-12/h2*9-12H,5-8H2,1-4H3/t9-,10+,11-;9-,10-,11+/m01/s1
InChIKeyQYBWBNKQZCMFRE-QHZZYHAMSA-N
MW424.67 g/mol
LogP6.14
Rot. Bonds2

About 2-[(1R,3R,6S)-2,2,3,6-tetramethylcyclohexyl]-1,3-dioxolane;2-[(1R,3R,6R)-2,2,3,6-tetramethylcyclohexyl]-1,3-dioxolane

2-[(1R,3R,6S)-2,2,3,6-tetramethylcyclohexyl]-1,3-dioxolane;2-[(1R,3R,6R)-2,2,3,6-tetramethylcyclohexyl]-1,3-dioxolane (PubChem CID 160551117) has the molecular formula C26H48O4 and a molecular weight of 424.67 g/mol. Its IUPAC name is 2-[(1R,3R,6S)-2,2,3,6-tetramethylcyclohexyl]-1,3-dioxolane;2-[(1R,3R,6R)-2,2,3,6-tetramethylcyclohexyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(1R,3R,6S)-2,2,3,6-tetramethylcyclohexyl]-1,3-dioxolane;2-[(1R,3R,6R)-2,2,3,6-tetramethylcyclohexyl]-1,3-dioxolane
PubChem CID160551117
Molecular FormulaC26H48O4
Molecular Weight424.67 g/mol
Exact Mass424.36
IUPAC Name2-[(1R,3R,6S)-2,2,3,6-tetramethylcyclohexyl]-1,3-dioxolane;2-[(1R,3R,6R)-2,2,3,6-tetramethylcyclohexyl]-1,3-dioxolane
SMILESC[C@@H]1CC[C@@H](C)C(C)(C)[C@@H]1C1OCCO1.C[C@@H]1CC[C@H](C)[C@@H](C2OCCO2)C1(C)C
InChIInChI=1S/2C13H24O2/c2*1-9-5-6-10(2)13(3,4)11(9)12-14-7-8-15-12/h2*9-12H,5-8H2,1-4H3/t9-,10+,11-;9-,10-,11+/m01/s1
InChIKeyQYBWBNKQZCMFRE-QHZZYHAMSA-N
XLogP6.14
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.67
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(1R,3R,6S)-2,2,3,6-tetramethylcyclohexyl]-1,3-dioxolane;2-[(1R,3R,6R)-2,2,3,6-tetramethylcyclohexyl]-1,3-dioxolane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3R,6S)-2,2,3,6-tetramethylcyclohexyl]-1,3-dioxolane;2-[(1R,3R,6R)-2,2,3,6-tetramethylcyclohexyl]-1,3-dioxolane?
The IUPAC name of 2-[(1R,3R,6S)-2,2,3,6-tetramethylcyclohexyl]-1,3-dioxolane;2-[(1R,3R,6R)-2,2,3,6-tetramethylcyclohexyl]-1,3-dioxolane (CID 160551117) is 2-[(1R,3R,6S)-2,2,3,6-tetramethylcyclohexyl]-1,3-dioxolane;2-[(1R,3R,6R)-2,2,3,6-tetramethylcyclohexyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(1R,3R,6S)-2,2,3,6-tetramethylcyclohexyl]-1,3-dioxolane;2-[(1R,3R,6R)-2,2,3,6-tetramethylcyclohexyl]-1,3-dioxolane?
The canonical SMILES for 2-[(1R,3R,6S)-2,2,3,6-tetramethylcyclohexyl]-1,3-dioxolane;2-[(1R,3R,6R)-2,2,3,6-tetramethylcyclohexyl]-1,3-dioxolane is C[C@@H]1CC[C@@H](C)C(C)(C)[C@@H]1C1OCCO1.C[C@@H]1CC[C@H](C)[C@@H](C2OCCO2)C1(C)C.
What is the InChIKey of 2-[(1R,3R,6S)-2,2,3,6-tetramethylcyclohexyl]-1,3-dioxolane;2-[(1R,3R,6R)-2,2,3,6-tetramethylcyclohexyl]-1,3-dioxolane?
The InChIKey is QYBWBNKQZCMFRE-QHZZYHAMSA-N. The full InChI is InChI=1S/2C13H24O2/c2*1-9-5-6-10(2)13(3,4)11(9)12-14-7-8-15-12/h2*9-12H,5-8H2,1-4H3/t9-,10+,11-;9-,10-,11+/m01/s1.
What are the key properties of 2-[(1R,3R,6S)-2,2,3,6-tetramethylcyclohexyl]-1,3-dioxolane;2-[(1R,3R,6R)-2,2,3,6-tetramethylcyclohexyl]-1,3-dioxolane?
2-[(1R,3R,6S)-2,2,3,6-tetramethylcyclohexyl]-1,3-dioxolane;2-[(1R,3R,6R)-2,2,3,6-tetramethylcyclohexyl]-1,3-dioxolane has a molecular weight of 424.67 g/mol, XLogP of 6.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3R,6S)-2,2,3,6-tetramethylcyclohexyl]-1,3-dioxolane;2-[(1R,3R,6R)-2,2,3,6-tetramethylcyclohexyl]-1,3-dioxolane is sourced from PubChem (CID 160551117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).