1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,3,5-triol

C10H18O3 — CID 58860261

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,3,5-triol
SMILESOC1CC(O)C2CCCC(O)C2C1
InChIInChI=1S/C10H18O3/c11-6-4-8-7(10(13)5-6)2-1-3-9(8)12/h6-13H,1-5H2
InChIKeyINPAQXKWURBKMV-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.28
Rot. Bonds

About 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,3,5-triol

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,3,5-triol (PubChem CID 58860261) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,3,5-triol.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,3,5-triol
PubChem CID58860261
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,3,5-triol
SMILESOC1CC(O)C2CCCC(O)C2C1
InChIInChI=1S/C10H18O3/c11-6-4-8-7(10(13)5-6)2-1-3-9(8)12/h6-13H,1-5H2
InChIKeyINPAQXKWURBKMV-UHFFFAOYSA-N
XLogP0.28
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,3,5-triol?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,3,5-triol (CID 58860261) is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,3,5-triol.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,3,5-triol?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,3,5-triol is OC1CC(O)C2CCCC(O)C2C1.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,3,5-triol?
The InChIKey is INPAQXKWURBKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c11-6-4-8-7(10(13)5-6)2-1-3-9(8)12/h6-13H,1-5H2.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,3,5-triol?
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,3,5-triol has a molecular weight of 186.25 g/mol, XLogP of 0.28, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,3,5-triol is sourced from PubChem (CID 58860261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).