(1S,6S,8aS)-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene-1,6-diol

C11H20O2 — CID 6711344

IUPAC(1S,6S,8aS)-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene-1,6-diol
SMILESC[C@]12CC[C@H](O)CC1CCC[C@@H]2O
InChIInChI=1S/C11H20O2/c1-11-6-5-9(12)7-8(11)3-2-4-10(11)13/h8-10,12-13H,2-7H2,1H3/t8?,9-,10-,11-/m0/s1
InChIKeyMPZJXFSZLAPMGN-KQFSYOIOSA-N
MW184.28 g/mol
LogP1.70
Rot. Bonds

About (1S,6S,8aS)-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene-1,6-diol

(1S,6S,8aS)-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene-1,6-diol (PubChem CID 6711344) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (1S,6S,8aS)-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene-1,6-diol.

Molecular Properties

Compound Name(1S,6S,8aS)-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene-1,6-diol
PubChem CID6711344
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(1S,6S,8aS)-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene-1,6-diol
SMILESC[C@]12CC[C@H](O)CC1CCC[C@@H]2O
InChIInChI=1S/C11H20O2/c1-11-6-5-9(12)7-8(11)3-2-4-10(11)13/h8-10,12-13H,2-7H2,1H3/t8?,9-,10-,11-/m0/s1
InChIKeyMPZJXFSZLAPMGN-KQFSYOIOSA-N
XLogP1.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,6S,8aS)-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene-1,6-diol?
The IUPAC name of (1S,6S,8aS)-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene-1,6-diol (CID 6711344) is (1S,6S,8aS)-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene-1,6-diol.
What is the SMILES notation for (1S,6S,8aS)-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene-1,6-diol?
The canonical SMILES for (1S,6S,8aS)-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene-1,6-diol is C[C@]12CC[C@H](O)CC1CCC[C@@H]2O.
What is the InChIKey of (1S,6S,8aS)-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene-1,6-diol?
The InChIKey is MPZJXFSZLAPMGN-KQFSYOIOSA-N. The full InChI is InChI=1S/C11H20O2/c1-11-6-5-9(12)7-8(11)3-2-4-10(11)13/h8-10,12-13H,2-7H2,1H3/t8?,9-,10-,11-/m0/s1.
What are the key properties of (1S,6S,8aS)-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene-1,6-diol?
(1S,6S,8aS)-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene-1,6-diol has a molecular weight of 184.28 g/mol, XLogP of 1.70, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S,8aS)-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene-1,6-diol is sourced from PubChem (CID 6711344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).