(1R,4aR,5S,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,5-diol

C10H18O2 — CID 11907324

IUPAC(1R,4aR,5S,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,5-diol
SMILESO[C@@H]1CCC[C@@H]2[C@@H]1CCC[C@@H]2O
InChIInChI=1S/C10H18O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h7-12H,1-6H2/t7-,8+,9-,10+
InChIKeyBABJMFGHXVXNKB-YNFQOJQRSA-N
MW170.25 g/mol
LogP1.31
Rot. Bonds

About (1R,4aR,5S,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,5-diol

(1R,4aR,5S,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,5-diol (PubChem CID 11907324) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (1R,4aR,5S,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,5-diol.

Molecular Properties

Compound Name(1R,4aR,5S,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,5-diol
PubChem CID11907324
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(1R,4aR,5S,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,5-diol
SMILESO[C@@H]1CCC[C@@H]2[C@@H]1CCC[C@@H]2O
InChIInChI=1S/C10H18O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h7-12H,1-6H2/t7-,8+,9-,10+
InChIKeyBABJMFGHXVXNKB-YNFQOJQRSA-N
XLogP1.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,4aR,5S,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,5-diol with MolForge

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Related Compounds

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trans-(1S,2S)-cyclohexane-1,2-diol;trans-(1R,2R)-cyclohexane-1,2-diol
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(1S,4S,4aS,8aS)-4-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol
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Frequently Asked Questions

What is the IUPAC name of (1R,4aR,5S,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,5-diol?
The IUPAC name of (1R,4aR,5S,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,5-diol (CID 11907324) is (1R,4aR,5S,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,5-diol.
What is the SMILES notation for (1R,4aR,5S,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,5-diol?
The canonical SMILES for (1R,4aR,5S,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,5-diol is O[C@@H]1CCC[C@@H]2[C@@H]1CCC[C@@H]2O.
What is the InChIKey of (1R,4aR,5S,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,5-diol?
The InChIKey is BABJMFGHXVXNKB-YNFQOJQRSA-N. The full InChI is InChI=1S/C10H18O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h7-12H,1-6H2/t7-,8+,9-,10+.
What are the key properties of (1R,4aR,5S,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,5-diol?
(1R,4aR,5S,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,5-diol has a molecular weight of 170.25 g/mol, XLogP of 1.31, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4aR,5S,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,5-diol is sourced from PubChem (CID 11907324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).