1,2,4a,5,6,8a-hexahydronaphthalene-2,6-diol

C10H14O2 — CID 130125975

IUPAC1,2,4a,5,6,8a-hexahydronaphthalene-2,6-diol
SMILESOC1C=CC2CC(O)C=CC2C1
InChIInChI=1S/C10H14O2/c11-9-3-1-7-5-10(12)4-2-8(7)6-9/h1-4,7-12H,5-6H2
InChIKeyQIGDKTOGRMBHHN-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.86
Rot. Bonds

About 1,2,4a,5,6,8a-hexahydronaphthalene-2,6-diol

1,2,4a,5,6,8a-hexahydronaphthalene-2,6-diol (PubChem CID 130125975) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1,2,4a,5,6,8a-hexahydronaphthalene-2,6-diol.

Molecular Properties

Compound Name1,2,4a,5,6,8a-hexahydronaphthalene-2,6-diol
PubChem CID130125975
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name1,2,4a,5,6,8a-hexahydronaphthalene-2,6-diol
SMILESOC1C=CC2CC(O)C=CC2C1
InChIInChI=1S/C10H14O2/c11-9-3-1-7-5-10(12)4-2-8(7)6-9/h1-4,7-12H,5-6H2
InChIKeyQIGDKTOGRMBHHN-UHFFFAOYSA-N
XLogP0.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S,5R,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene
CID 98626620
(1R,2S,5S,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene
CID 98626622
acetic acid;(1R,3R)-cyclopent-4-ene-1,3-diol
CID 71400880
(1R,2S,4R,7R)-bicyclo[2.2.1]hept-5-ene-2,7-diol
CID 131089287
actinium;4-methylcyclopent-2-en-1-ol
CID 20708728
4-(hydroxymethyl)cyclopent-2-en-1-ol
CID 14020426
(2R,4S,7R,9S)-tricyclo[5.2.1.04,10]dec-5-ene-2,9-diol
CID 95565725
(1R,4R)-4-ethylcyclopent-2-en-1-ol
CID 12026726
4-(methylamino)cyclopent-2-en-1-ol
CID 67183960
trans-(1R,2R)-cyclopropane-1,2-diol
CID 59075452
(1R)-bicyclo[2.2.1]hept-5-en-2-ol
CID 67822008
bicyclo[4.2.1]non-4-en-3-ol
CID 130142905

Frequently Asked Questions

What is the IUPAC name of 1,2,4a,5,6,8a-hexahydronaphthalene-2,6-diol?
The IUPAC name of 1,2,4a,5,6,8a-hexahydronaphthalene-2,6-diol (CID 130125975) is 1,2,4a,5,6,8a-hexahydronaphthalene-2,6-diol.
What is the SMILES notation for 1,2,4a,5,6,8a-hexahydronaphthalene-2,6-diol?
The canonical SMILES for 1,2,4a,5,6,8a-hexahydronaphthalene-2,6-diol is OC1C=CC2CC(O)C=CC2C1.
What is the InChIKey of 1,2,4a,5,6,8a-hexahydronaphthalene-2,6-diol?
The InChIKey is QIGDKTOGRMBHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c11-9-3-1-7-5-10(12)4-2-8(7)6-9/h1-4,7-12H,5-6H2.
What are the key properties of 1,2,4a,5,6,8a-hexahydronaphthalene-2,6-diol?
1,2,4a,5,6,8a-hexahydronaphthalene-2,6-diol has a molecular weight of 166.22 g/mol, XLogP of 0.86, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4a,5,6,8a-hexahydronaphthalene-2,6-diol is sourced from PubChem (CID 130125975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).