(1S,7S,8S,8aR)-8-(hydroxymethyl)-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol

C12H18O2 — CID 11506620

IUPAC(1S,7S,8S,8aR)-8-(hydroxymethyl)-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol
SMILESC[C@H]1C=CC2=CCC[C@H](O)[C@@H]2[C@H]1CO
InChIInChI=1S/C12H18O2/c1-8-5-6-9-3-2-4-11(14)12(9)10(8)7-13/h3,5-6,8,10-14H,2,4,7H2,1H3/t8-,10-,11-,12-/m0/s1
InChIKeyFNAMGILRFOTSRO-VGDYDELISA-N
MW194.27 g/mol
LogP1.50
Rot. Bonds1

About (1S,7S,8S,8aR)-8-(hydroxymethyl)-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol

(1S,7S,8S,8aR)-8-(hydroxymethyl)-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol (PubChem CID 11506620) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (1S,7S,8S,8aR)-8-(hydroxymethyl)-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S,7S,8S,8aR)-8-(hydroxymethyl)-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol
PubChem CID11506620
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(1S,7S,8S,8aR)-8-(hydroxymethyl)-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol
SMILESC[C@H]1C=CC2=CCC[C@H](O)[C@@H]2[C@H]1CO
InChIInChI=1S/C12H18O2/c1-8-5-6-9-3-2-4-11(14)12(9)10(8)7-13/h3,5-6,8,10-14H,2,4,7H2,1H3/t8-,10-,11-,12-/m0/s1
InChIKeyFNAMGILRFOTSRO-VGDYDELISA-N
XLogP1.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,7S,8S,8aR)-8-(hydroxymethyl)-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol with MolForge

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Related Compounds

(2S,4R)-p-Mentha-1(7),5-dien-2-ol
CID 5319361
2,10-Bisaboladiene-1,4-diol
CID 131752167
1beta-Hydroxy-4(15),5E,10(14)-germacratriene
CID 643709
7,8-Dihydroparasiloxanthin
CID 87442432
Parasiloxanthin
CID 16061229
2-[(8R,8aR)-8,8a-dimethyl-4,6,7,8-tetrahydro-3H-naphthalen-2-yl]propan-1-ol
CID 91748873
8-Hydroxy-(+)-delta-cadinene
CID 15983950
7,8-Dihydro-beta,beat-carotene-3,3'-diol
CID 87445983
Bisacurol
CID 14287403
4,10-Dimethylidene-7-(propan-2-yl)cyclodec-5-en-1-ol
CID 71370041
Dihydroparasiloxanthin/7,8,7',8'-Tetrahydrozeaxanthin
CID 16061230
cis-1(7),5-p-Menthadien-2-ol
CID 91753261

Frequently Asked Questions

What is the IUPAC name of (1S,7S,8S,8aR)-8-(hydroxymethyl)-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol?
The IUPAC name of (1S,7S,8S,8aR)-8-(hydroxymethyl)-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol (CID 11506620) is (1S,7S,8S,8aR)-8-(hydroxymethyl)-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol.
What is the SMILES notation for (1S,7S,8S,8aR)-8-(hydroxymethyl)-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol?
The canonical SMILES for (1S,7S,8S,8aR)-8-(hydroxymethyl)-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol is C[C@H]1C=CC2=CCC[C@H](O)[C@@H]2[C@H]1CO.
What is the InChIKey of (1S,7S,8S,8aR)-8-(hydroxymethyl)-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol?
The InChIKey is FNAMGILRFOTSRO-VGDYDELISA-N. The full InChI is InChI=1S/C12H18O2/c1-8-5-6-9-3-2-4-11(14)12(9)10(8)7-13/h3,5-6,8,10-14H,2,4,7H2,1H3/t8-,10-,11-,12-/m0/s1.
What are the key properties of (1S,7S,8S,8aR)-8-(hydroxymethyl)-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol?
(1S,7S,8S,8aR)-8-(hydroxymethyl)-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol has a molecular weight of 194.27 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7S,8S,8aR)-8-(hydroxymethyl)-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol is sourced from PubChem (CID 11506620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).