(1R,2S,4S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol

C12H20O2 — CID 10987192

IUPAC(1R,2S,4S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@H]1O[C@H](O)C[C@@H]21
InChIInChI=1S/C12H20O2/c1-11(2)8-4-5-12(11,3)10-7(8)6-9(13)14-10/h7-10,13H,4-6H2,1-3H3/t7-,8+,9-,10-,12-/m0/s1
InChIKeyKATOZYGYLINPLJ-SSSAOXCUSA-N
MW196.29 g/mol
LogP2.17
Rot. Bonds

About (1R,2S,4S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol

(1R,2S,4S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol (PubChem CID 10987192) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (1R,2S,4S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol.

Molecular Properties

Compound Name(1R,2S,4S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol
PubChem CID10987192
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(1R,2S,4S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@H]1O[C@H](O)C[C@@H]21
InChIInChI=1S/C12H20O2/c1-11(2)8-4-5-12(11,3)10-7(8)6-9(13)14-10/h7-10,13H,4-6H2,1-3H3/t7-,8+,9-,10-,12-/m0/s1
InChIKeyKATOZYGYLINPLJ-SSSAOXCUSA-N
XLogP2.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,4S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol?
The IUPAC name of (1R,2S,4S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol (CID 10987192) is (1R,2S,4S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol.
What is the SMILES notation for (1R,2S,4S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol?
The canonical SMILES for (1R,2S,4S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol is CC1(C)[C@@H]2CC[C@@]1(C)[C@H]1O[C@H](O)C[C@@H]21.
What is the InChIKey of (1R,2S,4S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol?
The InChIKey is KATOZYGYLINPLJ-SSSAOXCUSA-N. The full InChI is InChI=1S/C12H20O2/c1-11(2)8-4-5-12(11,3)10-7(8)6-9(13)14-10/h7-10,13H,4-6H2,1-3H3/t7-,8+,9-,10-,12-/m0/s1.
What are the key properties of (1R,2S,4S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol?
(1R,2S,4S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol has a molecular weight of 196.29 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol is sourced from PubChem (CID 10987192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).