(1S,2S,3S,5R,6R,8S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-3,8-diol

C15H26O3 — CID 10562917

IUPAC(1S,2S,3S,5R,6R,8S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-3,8-diol
SMILESC[C@@H]1C[C@H](O)[C@@H]2[C@@H]1C[C@@]1(O)CC[C@]2(C)OC1(C)C
InChIInChI=1S/C15H26O3/c1-9-7-11(16)12-10(9)8-15(17)6-5-14(12,4)18-13(15,2)3/h9-12,16-17H,5-8H2,1-4H3/t9-,10-,11+,12+,14+,15+/m1/s1
InChIKeyFZHQWUGUAXQAKQ-QIWTVSAUSA-N
MW254.37 g/mol
LogP2.10
Rot. Bonds

About (1S,2S,3S,5R,6R,8S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-3,8-diol

(1S,2S,3S,5R,6R,8S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-3,8-diol (PubChem CID 10562917) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (1S,2S,3S,5R,6R,8S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-3,8-diol.

Molecular Properties

Compound Name(1S,2S,3S,5R,6R,8S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-3,8-diol
PubChem CID10562917
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(1S,2S,3S,5R,6R,8S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-3,8-diol
SMILESC[C@@H]1C[C@H](O)[C@@H]2[C@@H]1C[C@@]1(O)CC[C@]2(C)OC1(C)C
InChIInChI=1S/C15H26O3/c1-9-7-11(16)12-10(9)8-15(17)6-5-14(12,4)18-13(15,2)3/h9-12,16-17H,5-8H2,1-4H3/t9-,10-,11+,12+,14+,15+/m1/s1
InChIKeyFZHQWUGUAXQAKQ-QIWTVSAUSA-N
XLogP2.10
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S,2S,3S,5R,6R,8S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-3,8-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S,5R,6R,8S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-3,8-diol?
The IUPAC name of (1S,2S,3S,5R,6R,8S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-3,8-diol (CID 10562917) is (1S,2S,3S,5R,6R,8S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-3,8-diol.
What is the SMILES notation for (1S,2S,3S,5R,6R,8S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-3,8-diol?
The canonical SMILES for (1S,2S,3S,5R,6R,8S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-3,8-diol is C[C@@H]1C[C@H](O)[C@@H]2[C@@H]1C[C@@]1(O)CC[C@]2(C)OC1(C)C.
What is the InChIKey of (1S,2S,3S,5R,6R,8S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-3,8-diol?
The InChIKey is FZHQWUGUAXQAKQ-QIWTVSAUSA-N. The full InChI is InChI=1S/C15H26O3/c1-9-7-11(16)12-10(9)8-15(17)6-5-14(12,4)18-13(15,2)3/h9-12,16-17H,5-8H2,1-4H3/t9-,10-,11+,12+,14+,15+/m1/s1.
What are the key properties of (1S,2S,3S,5R,6R,8S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-3,8-diol?
(1S,2S,3S,5R,6R,8S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-3,8-diol has a molecular weight of 254.37 g/mol, XLogP of 2.10, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S,5R,6R,8S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-3,8-diol is sourced from PubChem (CID 10562917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).