(1R,6R)-8-hydroxy-9,9-dimethyltricyclo[4.3.3.01,6]dodecan-3-one

C14H22O2 — CID 162786853

IUPAC(1R,6R)-8-hydroxy-9,9-dimethyltricyclo[4.3.3.01,6]dodecan-3-one
SMILESCC1(C)C(O)C[C@]23CCC[C@]12CC(=O)CC3
InChIInChI=1S/C14H22O2/c1-12(2)11(16)9-13-5-3-6-14(12,13)8-10(15)4-7-13/h11,16H,3-9H2,1-2H3/t11?,13-,14+/m1/s1
InChIKeyPNHRMILKVOBPOI-WLPIGLKUSA-N
MW222.33 g/mol
LogP2.69
Rot. Bonds

About (1R,6R)-8-hydroxy-9,9-dimethyltricyclo[4.3.3.01,6]dodecan-3-one

(1R,6R)-8-hydroxy-9,9-dimethyltricyclo[4.3.3.01,6]dodecan-3-one (PubChem CID 162786853) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (1R,6R)-8-hydroxy-9,9-dimethyltricyclo[4.3.3.01,6]dodecan-3-one.

Molecular Properties

Compound Name(1R,6R)-8-hydroxy-9,9-dimethyltricyclo[4.3.3.01,6]dodecan-3-one
PubChem CID162786853
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name(1R,6R)-8-hydroxy-9,9-dimethyltricyclo[4.3.3.01,6]dodecan-3-one
SMILESCC1(C)C(O)C[C@]23CCC[C@]12CC(=O)CC3
InChIInChI=1S/C14H22O2/c1-12(2)11(16)9-13-5-3-6-14(12,13)8-10(15)4-7-13/h11,16H,3-9H2,1-2H3/t11?,13-,14+/m1/s1
InChIKeyPNHRMILKVOBPOI-WLPIGLKUSA-N
XLogP2.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,6R)-8-hydroxy-9,9-dimethyltricyclo[4.3.3.01,6]dodecan-3-one?
The IUPAC name of (1R,6R)-8-hydroxy-9,9-dimethyltricyclo[4.3.3.01,6]dodecan-3-one (CID 162786853) is (1R,6R)-8-hydroxy-9,9-dimethyltricyclo[4.3.3.01,6]dodecan-3-one.
What is the SMILES notation for (1R,6R)-8-hydroxy-9,9-dimethyltricyclo[4.3.3.01,6]dodecan-3-one?
The canonical SMILES for (1R,6R)-8-hydroxy-9,9-dimethyltricyclo[4.3.3.01,6]dodecan-3-one is CC1(C)C(O)C[C@]23CCC[C@]12CC(=O)CC3.
What is the InChIKey of (1R,6R)-8-hydroxy-9,9-dimethyltricyclo[4.3.3.01,6]dodecan-3-one?
The InChIKey is PNHRMILKVOBPOI-WLPIGLKUSA-N. The full InChI is InChI=1S/C14H22O2/c1-12(2)11(16)9-13-5-3-6-14(12,13)8-10(15)4-7-13/h11,16H,3-9H2,1-2H3/t11?,13-,14+/m1/s1.
What are the key properties of (1R,6R)-8-hydroxy-9,9-dimethyltricyclo[4.3.3.01,6]dodecan-3-one?
(1R,6R)-8-hydroxy-9,9-dimethyltricyclo[4.3.3.01,6]dodecan-3-one has a molecular weight of 222.33 g/mol, XLogP of 2.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-8-hydroxy-9,9-dimethyltricyclo[4.3.3.01,6]dodecan-3-one is sourced from PubChem (CID 162786853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).