(1R,2R,5S,6R,7S,8S,9S)-1,5,8,9-tetramethyl-12-oxatricyclo[6.3.1.02,6]dodecane-5,7-diol

C15H26O3 — CID 139585538

IUPAC(1R,2R,5S,6R,7S,8S,9S)-1,5,8,9-tetramethyl-12-oxatricyclo[6.3.1.02,6]dodecane-5,7-diol
SMILESC[C@H]1CC[C@@]2(C)O[C@]1(C)[C@@H](O)[C@H]1[C@H]2CC[C@]1(C)O
InChIInChI=1S/C15H26O3/c1-9-5-8-14(3)10-6-7-13(2,17)11(10)12(16)15(9,4)18-14/h9-12,16-17H,5-8H2,1-4H3/t9-,10+,11+,12-,13-,14+,15-/m0/s1
InChIKeyPIYWHRNORFKMHX-JTGSROGXSA-N
MW254.37 g/mol
LogP2.10
Rot. Bonds

About (1R,2R,5S,6R,7S,8S,9S)-1,5,8,9-tetramethyl-12-oxatricyclo[6.3.1.02,6]dodecane-5,7-diol

(1R,2R,5S,6R,7S,8S,9S)-1,5,8,9-tetramethyl-12-oxatricyclo[6.3.1.02,6]dodecane-5,7-diol (PubChem CID 139585538) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (1R,2R,5S,6R,7S,8S,9S)-1,5,8,9-tetramethyl-12-oxatricyclo[6.3.1.02,6]dodecane-5,7-diol.

Molecular Properties

Compound Name(1R,2R,5S,6R,7S,8S,9S)-1,5,8,9-tetramethyl-12-oxatricyclo[6.3.1.02,6]dodecane-5,7-diol
PubChem CID139585538
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(1R,2R,5S,6R,7S,8S,9S)-1,5,8,9-tetramethyl-12-oxatricyclo[6.3.1.02,6]dodecane-5,7-diol
SMILESC[C@H]1CC[C@@]2(C)O[C@]1(C)[C@@H](O)[C@H]1[C@H]2CC[C@]1(C)O
InChIInChI=1S/C15H26O3/c1-9-5-8-14(3)10-6-7-13(2,17)11(10)12(16)15(9,4)18-14/h9-12,16-17H,5-8H2,1-4H3/t9-,10+,11+,12-,13-,14+,15-/m0/s1
InChIKeyPIYWHRNORFKMHX-JTGSROGXSA-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 (1R,2R,5S,6R,7S,8S,9S)-1,5,8,9-tetramethyl-12-oxatricyclo[6.3.1.02,6]dodecane-5,7-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,5S,6R,7S,8S,9S)-1,5,8,9-tetramethyl-12-oxatricyclo[6.3.1.02,6]dodecane-5,7-diol?
The IUPAC name of (1R,2R,5S,6R,7S,8S,9S)-1,5,8,9-tetramethyl-12-oxatricyclo[6.3.1.02,6]dodecane-5,7-diol (CID 139585538) is (1R,2R,5S,6R,7S,8S,9S)-1,5,8,9-tetramethyl-12-oxatricyclo[6.3.1.02,6]dodecane-5,7-diol.
What is the SMILES notation for (1R,2R,5S,6R,7S,8S,9S)-1,5,8,9-tetramethyl-12-oxatricyclo[6.3.1.02,6]dodecane-5,7-diol?
The canonical SMILES for (1R,2R,5S,6R,7S,8S,9S)-1,5,8,9-tetramethyl-12-oxatricyclo[6.3.1.02,6]dodecane-5,7-diol is C[C@H]1CC[C@@]2(C)O[C@]1(C)[C@@H](O)[C@H]1[C@H]2CC[C@]1(C)O.
What is the InChIKey of (1R,2R,5S,6R,7S,8S,9S)-1,5,8,9-tetramethyl-12-oxatricyclo[6.3.1.02,6]dodecane-5,7-diol?
The InChIKey is PIYWHRNORFKMHX-JTGSROGXSA-N. The full InChI is InChI=1S/C15H26O3/c1-9-5-8-14(3)10-6-7-13(2,17)11(10)12(16)15(9,4)18-14/h9-12,16-17H,5-8H2,1-4H3/t9-,10+,11+,12-,13-,14+,15-/m0/s1.
What are the key properties of (1R,2R,5S,6R,7S,8S,9S)-1,5,8,9-tetramethyl-12-oxatricyclo[6.3.1.02,6]dodecane-5,7-diol?
(1R,2R,5S,6R,7S,8S,9S)-1,5,8,9-tetramethyl-12-oxatricyclo[6.3.1.02,6]dodecane-5,7-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 (1R,2R,5S,6R,7S,8S,9S)-1,5,8,9-tetramethyl-12-oxatricyclo[6.3.1.02,6]dodecane-5,7-diol is sourced from PubChem (CID 139585538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).