(1S,2R,3S,5R,6S,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-3-ol

C15H26O2 — CID 163103407

IUPAC(1S,2R,3S,5R,6S,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-3-ol
SMILESC[C@@H]1[C@@H](O)C[C@@H]2[C@@H](C)CC[C@H]3C[C@@]12OC3(C)C
InChIInChI=1S/C15H26O2/c1-9-5-6-11-8-15(17-14(11,3)4)10(2)13(16)7-12(9)15/h9-13,16H,5-8H2,1-4H3/t9-,10+,11-,12+,13-,15+/m0/s1
InChIKeyASYDZLBLBUOOTM-PLXWNWTRSA-N
MW238.37 g/mol
LogP2.99
Rot. Bonds

About (1S,2R,3S,5R,6S,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-3-ol

(1S,2R,3S,5R,6S,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-3-ol (PubChem CID 163103407) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1S,2R,3S,5R,6S,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-3-ol.

Molecular Properties

Compound Name(1S,2R,3S,5R,6S,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-3-ol
PubChem CID163103407
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1S,2R,3S,5R,6S,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-3-ol
SMILESC[C@@H]1[C@@H](O)C[C@@H]2[C@@H](C)CC[C@H]3C[C@@]12OC3(C)C
InChIInChI=1S/C15H26O2/c1-9-5-6-11-8-15(17-14(11,3)4)10(2)13(16)7-12(9)15/h9-13,16H,5-8H2,1-4H3/t9-,10+,11-,12+,13-,15+/m0/s1
InChIKeyASYDZLBLBUOOTM-PLXWNWTRSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,2R,3S,5R,6S,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-3-ol 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 (1S,2R,3S,5R,6S,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-3-ol?
The IUPAC name of (1S,2R,3S,5R,6S,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-3-ol (CID 163103407) is (1S,2R,3S,5R,6S,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-3-ol.
What is the SMILES notation for (1S,2R,3S,5R,6S,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-3-ol?
The canonical SMILES for (1S,2R,3S,5R,6S,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-3-ol is C[C@@H]1[C@@H](O)C[C@@H]2[C@@H](C)CC[C@H]3C[C@@]12OC3(C)C.
What is the InChIKey of (1S,2R,3S,5R,6S,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-3-ol?
The InChIKey is ASYDZLBLBUOOTM-PLXWNWTRSA-N. The full InChI is InChI=1S/C15H26O2/c1-9-5-6-11-8-15(17-14(11,3)4)10(2)13(16)7-12(9)15/h9-13,16H,5-8H2,1-4H3/t9-,10+,11-,12+,13-,15+/m0/s1.
What are the key properties of (1S,2R,3S,5R,6S,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-3-ol?
(1S,2R,3S,5R,6S,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-3-ol has a molecular weight of 238.37 g/mol, XLogP of 2.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S,5R,6S,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-3-ol is sourced from PubChem (CID 163103407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).