7,8a-dihydroxy-1,4a,5,6,7,8-hexahydronaphthalen-2-one

C10H14O3 — CID 101415754

IUPAC7,8a-dihydroxy-1,4a,5,6,7,8-hexahydronaphthalen-2-one
SMILESO=C1C=CC2CCC(O)CC2(O)C1
InChIInChI=1S/C10H14O3/c11-8-3-1-7-2-4-9(12)6-10(7,13)5-8/h1,3,7,9,12-13H,2,4-6H2
InChIKeyRWZXHCIWGXSXJW-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.41
Rot. Bonds

About 7,8a-dihydroxy-1,4a,5,6,7,8-hexahydronaphthalen-2-one

7,8a-dihydroxy-1,4a,5,6,7,8-hexahydronaphthalen-2-one (PubChem CID 101415754) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 7,8a-dihydroxy-1,4a,5,6,7,8-hexahydronaphthalen-2-one.

Molecular Properties

Compound Name7,8a-dihydroxy-1,4a,5,6,7,8-hexahydronaphthalen-2-one
PubChem CID101415754
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name7,8a-dihydroxy-1,4a,5,6,7,8-hexahydronaphthalen-2-one
SMILESO=C1C=CC2CCC(O)CC2(O)C1
InChIInChI=1S/C10H14O3/c11-8-3-1-7-2-4-9(12)6-10(7,13)5-8/h1,3,7,9,12-13H,2,4-6H2
InChIKeyRWZXHCIWGXSXJW-UHFFFAOYSA-N
XLogP0.41
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 ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,8a-dihydroxy-1,4a,5,6,7,8-hexahydronaphthalen-2-one?
The IUPAC name of 7,8a-dihydroxy-1,4a,5,6,7,8-hexahydronaphthalen-2-one (CID 101415754) is 7,8a-dihydroxy-1,4a,5,6,7,8-hexahydronaphthalen-2-one.
What is the SMILES notation for 7,8a-dihydroxy-1,4a,5,6,7,8-hexahydronaphthalen-2-one?
The canonical SMILES for 7,8a-dihydroxy-1,4a,5,6,7,8-hexahydronaphthalen-2-one is O=C1C=CC2CCC(O)CC2(O)C1.
What is the InChIKey of 7,8a-dihydroxy-1,4a,5,6,7,8-hexahydronaphthalen-2-one?
The InChIKey is RWZXHCIWGXSXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c11-8-3-1-7-2-4-9(12)6-10(7,13)5-8/h1,3,7,9,12-13H,2,4-6H2.
What are the key properties of 7,8a-dihydroxy-1,4a,5,6,7,8-hexahydronaphthalen-2-one?
7,8a-dihydroxy-1,4a,5,6,7,8-hexahydronaphthalen-2-one has a molecular weight of 182.22 g/mol, XLogP of 0.41, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8a-dihydroxy-1,4a,5,6,7,8-hexahydronaphthalen-2-one is sourced from PubChem (CID 101415754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).