(1S,6R,10R)-10-hydroxy-9,9-dimethyl-3-oxatricyclo[6.2.1.01,6]undecan-4-one

C12H18O3 — CID 102328679

IUPAC(1S,6R,10R)-10-hydroxy-9,9-dimethyl-3-oxatricyclo[6.2.1.01,6]undecan-4-one
SMILESCC1(C)C2C[C@@H]3CC(=O)OC[C@@]3(C2)[C@@H]1O
InChIInChI=1S/C12H18O3/c1-11(2)8-3-7-4-9(13)15-6-12(7,5-8)10(11)14/h7-8,10,14H,3-6H2,1-2H3/t7-,8?,10-,12-/m1/s1
InChIKeyFVANLVXJOHKNJL-HWKYQRDESA-N
MW210.27 g/mol
LogP1.35
Rot. Bonds

About (1S,6R,10R)-10-hydroxy-9,9-dimethyl-3-oxatricyclo[6.2.1.01,6]undecan-4-one

(1S,6R,10R)-10-hydroxy-9,9-dimethyl-3-oxatricyclo[6.2.1.01,6]undecan-4-one (PubChem CID 102328679) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is (1S,6R,10R)-10-hydroxy-9,9-dimethyl-3-oxatricyclo[6.2.1.01,6]undecan-4-one.

Molecular Properties

Compound Name(1S,6R,10R)-10-hydroxy-9,9-dimethyl-3-oxatricyclo[6.2.1.01,6]undecan-4-one
PubChem CID102328679
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name(1S,6R,10R)-10-hydroxy-9,9-dimethyl-3-oxatricyclo[6.2.1.01,6]undecan-4-one
SMILESCC1(C)C2C[C@@H]3CC(=O)OC[C@@]3(C2)[C@@H]1O
InChIInChI=1S/C12H18O3/c1-11(2)8-3-7-4-9(13)15-6-12(7,5-8)10(11)14/h7-8,10,14H,3-6H2,1-2H3/t7-,8?,10-,12-/m1/s1
InChIKeyFVANLVXJOHKNJL-HWKYQRDESA-N
XLogP1.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,6R,10R)-10-hydroxy-9,9-dimethyl-3-oxatricyclo[6.2.1.01,6]undecan-4-one?
The IUPAC name of (1S,6R,10R)-10-hydroxy-9,9-dimethyl-3-oxatricyclo[6.2.1.01,6]undecan-4-one (CID 102328679) is (1S,6R,10R)-10-hydroxy-9,9-dimethyl-3-oxatricyclo[6.2.1.01,6]undecan-4-one.
What is the SMILES notation for (1S,6R,10R)-10-hydroxy-9,9-dimethyl-3-oxatricyclo[6.2.1.01,6]undecan-4-one?
The canonical SMILES for (1S,6R,10R)-10-hydroxy-9,9-dimethyl-3-oxatricyclo[6.2.1.01,6]undecan-4-one is CC1(C)C2C[C@@H]3CC(=O)OC[C@@]3(C2)[C@@H]1O.
What is the InChIKey of (1S,6R,10R)-10-hydroxy-9,9-dimethyl-3-oxatricyclo[6.2.1.01,6]undecan-4-one?
The InChIKey is FVANLVXJOHKNJL-HWKYQRDESA-N. The full InChI is InChI=1S/C12H18O3/c1-11(2)8-3-7-4-9(13)15-6-12(7,5-8)10(11)14/h7-8,10,14H,3-6H2,1-2H3/t7-,8?,10-,12-/m1/s1.
What are the key properties of (1S,6R,10R)-10-hydroxy-9,9-dimethyl-3-oxatricyclo[6.2.1.01,6]undecan-4-one?
(1S,6R,10R)-10-hydroxy-9,9-dimethyl-3-oxatricyclo[6.2.1.01,6]undecan-4-one has a molecular weight of 210.27 g/mol, XLogP of 1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R,10R)-10-hydroxy-9,9-dimethyl-3-oxatricyclo[6.2.1.01,6]undecan-4-one is sourced from PubChem (CID 102328679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).