4,5-dihydroxytricyclo[5.2.1.02,6]decan-8-one

C10H14O3 — CID 130126797

IUPAC4,5-dihydroxytricyclo[5.2.1.02,6]decan-8-one
SMILESO=C1CC2CC1C1C(O)C(O)CC21
InChIInChI=1S/C10H14O3/c11-7-2-4-1-6(7)9-5(4)3-8(12)10(9)13/h4-6,8-10,12-13H,1-3H2
InChIKeyFUJYEKLRTJBUAY-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.05
Rot. Bonds

About 4,5-dihydroxytricyclo[5.2.1.02,6]decan-8-one

4,5-dihydroxytricyclo[5.2.1.02,6]decan-8-one (PubChem CID 130126797) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4,5-dihydroxytricyclo[5.2.1.02,6]decan-8-one.

Molecular Properties

Compound Name4,5-dihydroxytricyclo[5.2.1.02,6]decan-8-one
PubChem CID130126797
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name4,5-dihydroxytricyclo[5.2.1.02,6]decan-8-one
SMILESO=C1CC2CC1C1C(O)C(O)CC21
InChIInChI=1S/C10H14O3/c11-7-2-4-1-6(7)9-5(4)3-8(12)10(9)13/h4-6,8-10,12-13H,1-3H2
InChIKeyFUJYEKLRTJBUAY-UHFFFAOYSA-N
XLogP-0.05
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,6R)-tricyclo[5.2.1.02,6]decan-8-one
CID 91749107
(1S,2R,5S,6R,7S)-5-acetyl-4-methyl-4-azatricyclo[5.2.1.02,6]decan-8-one
CID 174169302
6-hydroxytricyclo[3.2.1.02,7]octan-3-one
CID 72951771
methane;tricyclo[5.2.1.02,6]decan-8-one
CID 162040407
(1R,2R,5R,6R,7S)-6-hydroxytricyclo[3.2.1.02,7]octan-3-one
CID 130966813
(4R)-tricyclo[5.2.1.02,6]decane-3,4-diol
CID 166987336
tricyclo[5.2.1.02,6]decane-3,4,9-triol
CID 13191206
(1S,2S,3R,4R,6R,7S)-tricyclo[5.2.1.02,6]decane-3,4-diol
CID 124812816
(1R,2R,6R,7R)-4-(4-oxocyclohexylidene)tricyclo[5.2.1.02,6]decan-8-one
CID 10657949
(1S,2S,6S,7S)-4-(4-oxocyclohexylidene)tricyclo[5.2.1.02,6]decan-8-one
CID 10634054
(1S,4S,7R,10S)-tricyclo[5.2.1.04,10]decan-2-one
CID 95565105
tricyclo[5.2.1.02,6]dec-4-ene-3,9-dione
CID 85263674

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxytricyclo[5.2.1.02,6]decan-8-one?
The IUPAC name of 4,5-dihydroxytricyclo[5.2.1.02,6]decan-8-one (CID 130126797) is 4,5-dihydroxytricyclo[5.2.1.02,6]decan-8-one.
What is the SMILES notation for 4,5-dihydroxytricyclo[5.2.1.02,6]decan-8-one?
The canonical SMILES for 4,5-dihydroxytricyclo[5.2.1.02,6]decan-8-one is O=C1CC2CC1C1C(O)C(O)CC21.
What is the InChIKey of 4,5-dihydroxytricyclo[5.2.1.02,6]decan-8-one?
The InChIKey is FUJYEKLRTJBUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c11-7-2-4-1-6(7)9-5(4)3-8(12)10(9)13/h4-6,8-10,12-13H,1-3H2.
What are the key properties of 4,5-dihydroxytricyclo[5.2.1.02,6]decan-8-one?
4,5-dihydroxytricyclo[5.2.1.02,6]decan-8-one has a molecular weight of 182.22 g/mol, XLogP of -0.05, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxytricyclo[5.2.1.02,6]decan-8-one is sourced from PubChem (CID 130126797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).