(1R,2S,4aS,8aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4a-dimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-2-ol

C20H38O2Si — CID 11290709

IUPAC(1R,2S,4aS,8aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4a-dimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-2-ol
SMILESC=C1CCC[C@H]2[C@](C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O)CC[C@]12C
InChIInChI=1S/C20H38O2Si/c1-15-10-9-11-16-19(15,5)13-12-17(21)20(16,6)14-22-23(7,8)18(2,3)4/h16-17,21H,1,9-14H2,2-8H3/t16-,17+,19-,20+/m1/s1
InChIKeyFXWNUZJDRGYLAK-BWPNAZKDSA-N
MW338.61 g/mol
LogP5.53
Rot. Bonds3

About (1R,2S,4aS,8aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4a-dimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-2-ol

(1R,2S,4aS,8aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4a-dimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-2-ol (PubChem CID 11290709) has the molecular formula C20H38O2Si and a molecular weight of 338.61 g/mol. Its IUPAC name is (1R,2S,4aS,8aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4a-dimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-2-ol.

Molecular Properties

Compound Name(1R,2S,4aS,8aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4a-dimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-2-ol
PubChem CID11290709
Molecular FormulaC20H38O2Si
Molecular Weight338.61 g/mol
Exact Mass338.26
IUPAC Name(1R,2S,4aS,8aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4a-dimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-2-ol
SMILESC=C1CCC[C@H]2[C@](C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O)CC[C@]12C
InChIInChI=1S/C20H38O2Si/c1-15-10-9-11-16-19(15,5)13-12-17(21)20(16,6)14-22-23(7,8)18(2,3)4/h16-17,21H,1,9-14H2,2-8H3/t16-,17+,19-,20+/m1/s1
InChIKeyFXWNUZJDRGYLAK-BWPNAZKDSA-N
XLogP5.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.61
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(5-hydroxy-3-methylpentyl)-1,1,4a-trimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-ol
CID 73088450
Arctiol
CID 14414242
Isodrimenediol
CID 10537922
3-(2-Hydroxypropan-2-yl)-8a-methyl-5-methylidene-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-ol
CID 14414241
(1S,4aR,6R,8aS)-8a-(hydroxymethyl)-4-methylidene-6-prop-1-en-2-yl-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-ol
CID 14890301
(2S,4aR,5S,8aR)-5-[(3R)-5-hydroxy-3-methylpentyl]-1,1,4a-trimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-ol
CID 15818304
(1S,4S,4aR,8aS)-4-[(3S)-3-hydroxyhex-5-enyl]-4a,8,8-trimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-1-ol
CID 162937173
(1R,2R,4aS,5R,8aR)-5-(2-hydroxyethyl)-1-(hydroxymethyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-ol
CID 163029876
(2S,4R,4aS,8aS)-4-[(3S)-5-hydroxy-3-methylpentyl]-4a,8,8-trimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ol
CID 163191298
5-Hydroxymethyl-1,1,4a-trimethyl-6-methylenedecahydronaphthalen-2-ol
CID 584513
(1S,4R,4aS,6R,8aR)-4,8a-dimethyl-6-prop-1-en-2-yl-1-trimethylsilyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
CID 15726787
[(1R,4aR,5S,6R,8aS)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5,8a-dimethyl-2-methylidene-6-triethylsilyloxy-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol
CID 11191463

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4aS,8aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4a-dimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-2-ol?
The IUPAC name of (1R,2S,4aS,8aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4a-dimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-2-ol (CID 11290709) is (1R,2S,4aS,8aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4a-dimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-2-ol.
What is the SMILES notation for (1R,2S,4aS,8aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4a-dimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-2-ol?
The canonical SMILES for (1R,2S,4aS,8aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4a-dimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-2-ol is C=C1CCC[C@H]2[C@](C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O)CC[C@]12C.
What is the InChIKey of (1R,2S,4aS,8aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4a-dimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-2-ol?
The InChIKey is FXWNUZJDRGYLAK-BWPNAZKDSA-N. The full InChI is InChI=1S/C20H38O2Si/c1-15-10-9-11-16-19(15,5)13-12-17(21)20(16,6)14-22-23(7,8)18(2,3)4/h16-17,21H,1,9-14H2,2-8H3/t16-,17+,19-,20+/m1/s1.
What are the key properties of (1R,2S,4aS,8aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4a-dimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-2-ol?
(1R,2S,4aS,8aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4a-dimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-2-ol has a molecular weight of 338.61 g/mol, XLogP of 5.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4aS,8aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4a-dimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-2-ol is sourced from PubChem (CID 11290709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).