(1S,4aR,7S,8R,8aS)-8-(hydroxymethyl)-7-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-ol

C12H20O2 — CID 11127198

IUPAC(1S,4aR,7S,8R,8aS)-8-(hydroxymethyl)-7-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-ol
SMILESC[C@H]1C=C[C@H]2CCC[C@H](O)[C@@H]2[C@@H]1CO
InChIInChI=1S/C12H20O2/c1-8-5-6-9-3-2-4-11(14)12(9)10(8)7-13/h5-6,8-14H,2-4,7H2,1H3/t8-,9+,10+,11-,12-/m0/s1
InChIKeyZYQGFJVMVIJUBV-KNZXXDILSA-N
MW196.29 g/mol
LogP1.58
Rot. Bonds1

About (1S,4aR,7S,8R,8aS)-8-(hydroxymethyl)-7-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-ol

(1S,4aR,7S,8R,8aS)-8-(hydroxymethyl)-7-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-ol (PubChem CID 11127198) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (1S,4aR,7S,8R,8aS)-8-(hydroxymethyl)-7-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S,4aR,7S,8R,8aS)-8-(hydroxymethyl)-7-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-ol
PubChem CID11127198
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(1S,4aR,7S,8R,8aS)-8-(hydroxymethyl)-7-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-ol
SMILESC[C@H]1C=C[C@H]2CCC[C@H](O)[C@@H]2[C@@H]1CO
InChIInChI=1S/C12H20O2/c1-8-5-6-9-3-2-4-11(14)12(9)10(8)7-13/h5-6,8-14H,2-4,7H2,1H3/t8-,9+,10+,11-,12-/m0/s1
InChIKeyZYQGFJVMVIJUBV-KNZXXDILSA-N
XLogP1.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,4aR,7S,8R,8aS)-8-(hydroxymethyl)-7-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-ol with MolForge

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Related Compounds

1-Deoxycapsidiol
CID 14486926
(3beta,9beta)-7-Drimene-3,11,12-triol
CID 14433069
2,2,6,8-Tetramethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-ol
CID 20197108
3beta-7-Drimene-3,11-diol
CID 14433088
Oplodiol
CID 12313756
(1R,4aS,8aR)-6-Isopropyl-8a-methyl-4-methylene-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-ol
CID 527304
(1S,2R,4aR,5R,8aS)-4a,8-dimethyl-2-propan-2-yl-2,3,4,5,6,8a-hexahydro-1H-naphthalene-1,5-diol
CID 44559491
(1R,2R,7S,8aR)-7-(3-hydroxyprop-1-en-2-yl)-1,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 155527301
(1S,4S,4aR,7R,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalene-1,7-diol
CID 44566715
Xylarinorditerpene Q
CID 156020964
Aristol-9-en-3-ol
CID 91747184
(-)-(1S,6S,9R,10R)-9alpha-Hydroxyamorpha-4,7(11)-diene
CID 91751296

Frequently Asked Questions

What is the IUPAC name of (1S,4aR,7S,8R,8aS)-8-(hydroxymethyl)-7-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-ol?
The IUPAC name of (1S,4aR,7S,8R,8aS)-8-(hydroxymethyl)-7-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-ol (CID 11127198) is (1S,4aR,7S,8R,8aS)-8-(hydroxymethyl)-7-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-ol.
What is the SMILES notation for (1S,4aR,7S,8R,8aS)-8-(hydroxymethyl)-7-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-ol?
The canonical SMILES for (1S,4aR,7S,8R,8aS)-8-(hydroxymethyl)-7-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-ol is C[C@H]1C=C[C@H]2CCC[C@H](O)[C@@H]2[C@@H]1CO.
What is the InChIKey of (1S,4aR,7S,8R,8aS)-8-(hydroxymethyl)-7-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-ol?
The InChIKey is ZYQGFJVMVIJUBV-KNZXXDILSA-N. The full InChI is InChI=1S/C12H20O2/c1-8-5-6-9-3-2-4-11(14)12(9)10(8)7-13/h5-6,8-14H,2-4,7H2,1H3/t8-,9+,10+,11-,12-/m0/s1.
What are the key properties of (1S,4aR,7S,8R,8aS)-8-(hydroxymethyl)-7-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-ol?
(1S,4aR,7S,8R,8aS)-8-(hydroxymethyl)-7-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-ol has a molecular weight of 196.29 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4aR,7S,8R,8aS)-8-(hydroxymethyl)-7-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-ol is sourced from PubChem (CID 11127198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).