(1S,2R,7S,8S,9R)-2,6,6,9-tetramethyl-12-oxatricyclo[7.2.1.01,7]dodecane-2,8-diol

C15H26O3 — CID 139064968

IUPAC(1S,2R,7S,8S,9R)-2,6,6,9-tetramethyl-12-oxatricyclo[7.2.1.01,7]dodecane-2,8-diol
SMILESCC1(C)CCC[C@@](C)(O)[C@@]23CC[C@@](C)(O2)[C@@H](O)[C@H]13
InChIInChI=1S/C15H26O3/c1-12(2)6-5-7-14(4,17)15-9-8-13(3,18-15)11(16)10(12)15/h10-11,16-17H,5-9H2,1-4H3/t10-,11+,13-,14-,15+/m1/s1
InChIKeyLOUCAPVUUWQGQM-BJBXXJATSA-N
MW254.37 g/mol
LogP2.25
Rot. Bonds

About (1S,2R,7S,8S,9R)-2,6,6,9-tetramethyl-12-oxatricyclo[7.2.1.01,7]dodecane-2,8-diol

(1S,2R,7S,8S,9R)-2,6,6,9-tetramethyl-12-oxatricyclo[7.2.1.01,7]dodecane-2,8-diol (PubChem CID 139064968) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (1S,2R,7S,8S,9R)-2,6,6,9-tetramethyl-12-oxatricyclo[7.2.1.01,7]dodecane-2,8-diol.

Molecular Properties

Compound Name(1S,2R,7S,8S,9R)-2,6,6,9-tetramethyl-12-oxatricyclo[7.2.1.01,7]dodecane-2,8-diol
PubChem CID139064968
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(1S,2R,7S,8S,9R)-2,6,6,9-tetramethyl-12-oxatricyclo[7.2.1.01,7]dodecane-2,8-diol
SMILESCC1(C)CCC[C@@](C)(O)[C@@]23CC[C@@](C)(O2)[C@@H](O)[C@H]13
InChIInChI=1S/C15H26O3/c1-12(2)6-5-7-14(4,17)15-9-8-13(3,18-15)11(16)10(12)15/h10-11,16-17H,5-9H2,1-4H3/t10-,11+,13-,14-,15+/m1/s1
InChIKeyLOUCAPVUUWQGQM-BJBXXJATSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S,2R,7S,8S,9R)-2,6,6,9-tetramethyl-12-oxatricyclo[7.2.1.01,7]dodecane-2,8-diol with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,7S,8S,9R)-2,6,6,9-tetramethyl-12-oxatricyclo[7.2.1.01,7]dodecane-2,8-diol?
The IUPAC name of (1S,2R,7S,8S,9R)-2,6,6,9-tetramethyl-12-oxatricyclo[7.2.1.01,7]dodecane-2,8-diol (CID 139064968) is (1S,2R,7S,8S,9R)-2,6,6,9-tetramethyl-12-oxatricyclo[7.2.1.01,7]dodecane-2,8-diol.
What is the SMILES notation for (1S,2R,7S,8S,9R)-2,6,6,9-tetramethyl-12-oxatricyclo[7.2.1.01,7]dodecane-2,8-diol?
The canonical SMILES for (1S,2R,7S,8S,9R)-2,6,6,9-tetramethyl-12-oxatricyclo[7.2.1.01,7]dodecane-2,8-diol is CC1(C)CCC[C@@](C)(O)[C@@]23CC[C@@](C)(O2)[C@@H](O)[C@H]13.
What is the InChIKey of (1S,2R,7S,8S,9R)-2,6,6,9-tetramethyl-12-oxatricyclo[7.2.1.01,7]dodecane-2,8-diol?
The InChIKey is LOUCAPVUUWQGQM-BJBXXJATSA-N. The full InChI is InChI=1S/C15H26O3/c1-12(2)6-5-7-14(4,17)15-9-8-13(3,18-15)11(16)10(12)15/h10-11,16-17H,5-9H2,1-4H3/t10-,11+,13-,14-,15+/m1/s1.
What are the key properties of (1S,2R,7S,8S,9R)-2,6,6,9-tetramethyl-12-oxatricyclo[7.2.1.01,7]dodecane-2,8-diol?
(1S,2R,7S,8S,9R)-2,6,6,9-tetramethyl-12-oxatricyclo[7.2.1.01,7]dodecane-2,8-diol has a molecular weight of 254.37 g/mol, XLogP of 2.25, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,7S,8S,9R)-2,6,6,9-tetramethyl-12-oxatricyclo[7.2.1.01,7]dodecane-2,8-diol is sourced from PubChem (CID 139064968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).