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

C18H34O2Si — CID 12044086

IUPAC(1S,4S,6S,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-4,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-ol
SMILESC[C@H]1CC[C@H](O)[C@@]2(C)CC[C@H](O[Si](C)(C)C(C)(C)C)C=C12
InChIInChI=1S/C18H34O2Si/c1-13-8-9-16(19)18(5)11-10-14(12-15(13)18)20-21(6,7)17(2,3)4/h12-14,16,19H,8-11H2,1-7H3/t13-,14-,16-,18-/m0/s1
InChIKeyMVXGIKVINPMKHC-DNUAJFIVSA-N
MW310.55 g/mol
LogP4.89
Rot. Bonds2

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

(1S,4S,6S,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-4,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-ol (PubChem CID 12044086) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is (1S,4S,6S,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-4,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-ol.

Molecular Properties

Compound Name(1S,4S,6S,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-4,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-ol
PubChem CID12044086
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name(1S,4S,6S,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-4,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-ol
SMILESC[C@H]1CC[C@H](O)[C@@]2(C)CC[C@H](O[Si](C)(C)C(C)(C)C)C=C12
InChIInChI=1S/C18H34O2Si/c1-13-8-9-16(19)18(5)11-10-14(12-15(13)18)20-21(6,7)17(2,3)4/h12-14,16,19H,8-11H2,1-7H3/t13-,14-,16-,18-/m0/s1
InChIKeyMVXGIKVINPMKHC-DNUAJFIVSA-N
XLogP4.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.55
LogP ≤ 54.89
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'}

Analyze (1S,4S,6S,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-4,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-ol with MolForge

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Related Compounds

(2S,4aS,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol
CID 11426466
[(4aR,5S,6R,8aR)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5,8a-dimethyl-6-triethylsilyloxy-3,4,4a,6,7,8-hexahydronaphthalen-2-yl]methanol
CID 11409360
(1S,6S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-8a-(trifluoromethyl)-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-ol
CID 10760343
3-[(1R,4aR,5S,6S)-1,5,6-trimethyl-5-[2-tri(propan-2-yl)silyloxyethyl]-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]propan-1-ol
CID 10717812
(1S,5S,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1H-inden-5-ol
CID 10957887
(1R,4S,6R,8R,9R)-8-[tert-butyl(dimethyl)silyl]oxy-10-methylidenetricyclo[7.2.1.01,6]dodec-2-en-4-ol
CID 72191606
4-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-ol
CID 134835026
(2S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1,6-dimethyl-4-propan-2-yl-2,3,4,4a,5,8-hexahydronaphthalen-2-ol
CID 134865796
3-([tert-Butyl(dimethyl)silyl]oxy)-7-isopropenyl-1,4a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-2-naphthalenol
CID 554922
1-[(4aS,8R,8aS)-4a-methyl-8-trimethylsilyloxy-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]ethanol
CID 10469006
(1R,4S,4aS,8aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1H-naphthalene-1,4-diol
CID 11794461
[(4aR,5S,6S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-5,8a-dimethyl-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydronaphthalen-2-yl]methanol
CID 11338727

Frequently Asked Questions

What is the IUPAC name of (1S,4S,6S,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-4,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-ol?
The IUPAC name of (1S,4S,6S,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-4,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-ol (CID 12044086) is (1S,4S,6S,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-4,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-ol.
What is the SMILES notation for (1S,4S,6S,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-4,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-ol?
The canonical SMILES for (1S,4S,6S,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-4,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-ol is C[C@H]1CC[C@H](O)[C@@]2(C)CC[C@H](O[Si](C)(C)C(C)(C)C)C=C12.
What is the InChIKey of (1S,4S,6S,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-4,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-ol?
The InChIKey is MVXGIKVINPMKHC-DNUAJFIVSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-13-8-9-16(19)18(5)11-10-14(12-15(13)18)20-21(6,7)17(2,3)4/h12-14,16,19H,8-11H2,1-7H3/t13-,14-,16-,18-/m0/s1.
What are the key properties of (1S,4S,6S,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-4,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-ol?
(1S,4S,6S,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-4,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-ol has a molecular weight of 310.55 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S,6S,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-4,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-ol is sourced from PubChem (CID 12044086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).