(1R,6R,8S)-2-hydroxytricyclo[6.2.2.01,6]dodecan-9-one

C12H18O2 — CID 135043148

IUPAC(1R,6R,8S)-2-hydroxytricyclo[6.2.2.01,6]dodecan-9-one
SMILESO=C1C[C@]23CC[C@H]1C[C@H]2CCCC3O
InChIInChI=1S/C12H18O2/c13-10-7-12-5-4-8(10)6-9(12)2-1-3-11(12)14/h8-9,11,14H,1-7H2/t8-,9+,11?,12+/m0/s1
InChIKeyFZCXPWRXDFKZIH-LWNVYZOXSA-N
MW194.27 g/mol
LogP1.91
Rot. Bonds

About (1R,6R,8S)-2-hydroxytricyclo[6.2.2.01,6]dodecan-9-one

(1R,6R,8S)-2-hydroxytricyclo[6.2.2.01,6]dodecan-9-one (PubChem CID 135043148) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (1R,6R,8S)-2-hydroxytricyclo[6.2.2.01,6]dodecan-9-one.

Molecular Properties

Compound Name(1R,6R,8S)-2-hydroxytricyclo[6.2.2.01,6]dodecan-9-one
PubChem CID135043148
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(1R,6R,8S)-2-hydroxytricyclo[6.2.2.01,6]dodecan-9-one
SMILESO=C1C[C@]23CC[C@H]1C[C@H]2CCCC3O
InChIInChI=1S/C12H18O2/c13-10-7-12-5-4-8(10)6-9(12)2-1-3-11(12)14/h8-9,11,14H,1-7H2/t8-,9+,11?,12+/m0/s1
InChIKeyFZCXPWRXDFKZIH-LWNVYZOXSA-N
XLogP1.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,6R,8S)-2-hydroxytricyclo[6.2.2.01,6]dodecan-9-one?
The IUPAC name of (1R,6R,8S)-2-hydroxytricyclo[6.2.2.01,6]dodecan-9-one (CID 135043148) is (1R,6R,8S)-2-hydroxytricyclo[6.2.2.01,6]dodecan-9-one.
What is the SMILES notation for (1R,6R,8S)-2-hydroxytricyclo[6.2.2.01,6]dodecan-9-one?
The canonical SMILES for (1R,6R,8S)-2-hydroxytricyclo[6.2.2.01,6]dodecan-9-one is O=C1C[C@]23CC[C@H]1C[C@H]2CCCC3O.
What is the InChIKey of (1R,6R,8S)-2-hydroxytricyclo[6.2.2.01,6]dodecan-9-one?
The InChIKey is FZCXPWRXDFKZIH-LWNVYZOXSA-N. The full InChI is InChI=1S/C12H18O2/c13-10-7-12-5-4-8(10)6-9(12)2-1-3-11(12)14/h8-9,11,14H,1-7H2/t8-,9+,11?,12+/m0/s1.
What are the key properties of (1R,6R,8S)-2-hydroxytricyclo[6.2.2.01,6]dodecan-9-one?
(1R,6R,8S)-2-hydroxytricyclo[6.2.2.01,6]dodecan-9-one has a molecular weight of 194.27 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R,8S)-2-hydroxytricyclo[6.2.2.01,6]dodecan-9-one is sourced from PubChem (CID 135043148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).