1,2,3,4,6,7,8,8a-octahydronaphthalene-1,6-diol

C10H16O2 — CID 4580966

IUPAC1,2,3,4,6,7,8,8a-octahydronaphthalene-1,6-diol
SMILESOC1C=C2CCCC(O)C2CC1
InChIInChI=1S/C10H16O2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h6,8-12H,1-5H2
InChIKeyXTIUZDWXDAVWFO-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.23
Rot. Bonds

About 1,2,3,4,6,7,8,8a-octahydronaphthalene-1,6-diol

1,2,3,4,6,7,8,8a-octahydronaphthalene-1,6-diol (PubChem CID 4580966) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1,2,3,4,6,7,8,8a-octahydronaphthalene-1,6-diol.

Molecular Properties

Compound Name1,2,3,4,6,7,8,8a-octahydronaphthalene-1,6-diol
PubChem CID4580966
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1,2,3,4,6,7,8,8a-octahydronaphthalene-1,6-diol
SMILESOC1C=C2CCCC(O)C2CC1
InChIInChI=1S/C10H16O2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h6,8-12H,1-5H2
InChIKeyXTIUZDWXDAVWFO-UHFFFAOYSA-N
XLogP1.23
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,6,7,8,8a-octahydronaphthalene-1,6-diol?
The IUPAC name of 1,2,3,4,6,7,8,8a-octahydronaphthalene-1,6-diol (CID 4580966) is 1,2,3,4,6,7,8,8a-octahydronaphthalene-1,6-diol.
What is the SMILES notation for 1,2,3,4,6,7,8,8a-octahydronaphthalene-1,6-diol?
The canonical SMILES for 1,2,3,4,6,7,8,8a-octahydronaphthalene-1,6-diol is OC1C=C2CCCC(O)C2CC1.
What is the InChIKey of 1,2,3,4,6,7,8,8a-octahydronaphthalene-1,6-diol?
The InChIKey is XTIUZDWXDAVWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h6,8-12H,1-5H2.
What are the key properties of 1,2,3,4,6,7,8,8a-octahydronaphthalene-1,6-diol?
1,2,3,4,6,7,8,8a-octahydronaphthalene-1,6-diol has a molecular weight of 168.24 g/mol, XLogP of 1.23, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,6,7,8,8a-octahydronaphthalene-1,6-diol is sourced from PubChem (CID 4580966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).