[(1S,6S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-6-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]methanol

C18H34O2Si — CID 10064010

IUPAC[(1S,6S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-6-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]methanol
SMILESC[C@H]1CC2C=CCC(CO)C2[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C18H34O2Si/c1-13-10-14-8-7-9-15(12-19)17(14)16(11-13)20-21(5,6)18(2,3)4/h7-8,13-17,19H,9-12H2,1-6H3/t13-,14?,15?,16-,17?/m0/s1
InChIKeyJYWPNUXUECMFRC-VATXVYSQSA-N
MW310.55 g/mol
LogP4.61
Rot. Bonds3

About [(1S,6S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-6-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]methanol

[(1S,6S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-6-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]methanol (PubChem CID 10064010) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is [(1S,6S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-6-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]methanol.

Molecular Properties

Compound Name[(1S,6S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-6-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]methanol
PubChem CID10064010
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name[(1S,6S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-6-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]methanol
SMILESC[C@H]1CC2C=CCC(CO)C2[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C18H34O2Si/c1-13-10-14-8-7-9-15(12-19)17(14)16(11-13)20-21(5,6)18(2,3)4/h7-8,13-17,19H,9-12H2,1-6H3/t13-,14?,15?,16-,17?/m0/s1
InChIKeyJYWPNUXUECMFRC-VATXVYSQSA-N
XLogP4.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.55
LogP ≤ 54.61
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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Frequently Asked Questions

What is the IUPAC name of [(1S,6S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-6-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]methanol?
The IUPAC name of [(1S,6S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-6-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]methanol (CID 10064010) is [(1S,6S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-6-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]methanol.
What is the SMILES notation for [(1S,6S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-6-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]methanol?
The canonical SMILES for [(1S,6S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-6-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]methanol is C[C@H]1CC2C=CCC(CO)C2[C@@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of [(1S,6S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-6-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]methanol?
The InChIKey is JYWPNUXUECMFRC-VATXVYSQSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-13-10-14-8-7-9-15(12-19)17(14)16(11-13)20-21(5,6)18(2,3)4/h7-8,13-17,19H,9-12H2,1-6H3/t13-,14?,15?,16-,17?/m0/s1.
What are the key properties of [(1S,6S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-6-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]methanol?
[(1S,6S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-6-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]methanol has a molecular weight of 310.55 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,6S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-6-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]methanol is sourced from PubChem (CID 10064010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).