[(6S,8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl]methanol

C20H34O2Si — CID 102212834

IUPAC[(6S,8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl]methanol
SMILESC[C@@H]1Cc2ccc(CO[Si](C)(C)C(C)(C)C)c(CO)c2[C@H](C)C1
InChIInChI=1S/C20H34O2Si/c1-14-10-15(2)19-16(11-14)8-9-17(18(19)12-21)13-22-23(6,7)20(3,4)5/h8-9,14-15,21H,10-13H2,1-7H3/t14-,15+/m0/s1
InChIKeyJNZZXMBBBMVXNJ-LSDHHAIUSA-N
MW334.58 g/mol
LogP5.39
Rot. Bonds4

About [(6S,8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl]methanol

[(6S,8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl]methanol (PubChem CID 102212834) has the molecular formula C20H34O2Si and a molecular weight of 334.58 g/mol. Its IUPAC name is [(6S,8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl]methanol.

Molecular Properties

Compound Name[(6S,8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl]methanol
PubChem CID102212834
Molecular FormulaC20H34O2Si
Molecular Weight334.58 g/mol
Exact Mass334.23
IUPAC Name[(6S,8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl]methanol
SMILESC[C@@H]1Cc2ccc(CO[Si](C)(C)C(C)(C)C)c(CO)c2[C@H](C)C1
InChIInChI=1S/C20H34O2Si/c1-14-10-15(2)19-16(11-14)8-9-17(18(19)12-21)13-22-23(6,7)20(3,4)5/h8-9,14-15,21H,10-13H2,1-7H3/t14-,15+/m0/s1
InChIKeyJNZZXMBBBMVXNJ-LSDHHAIUSA-N
XLogP5.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.58
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(6S,8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl]methanol?
The IUPAC name of [(6S,8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl]methanol (CID 102212834) is [(6S,8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl]methanol.
What is the SMILES notation for [(6S,8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl]methanol?
The canonical SMILES for [(6S,8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl]methanol is C[C@@H]1Cc2ccc(CO[Si](C)(C)C(C)(C)C)c(CO)c2[C@H](C)C1.
What is the InChIKey of [(6S,8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl]methanol?
The InChIKey is JNZZXMBBBMVXNJ-LSDHHAIUSA-N. The full InChI is InChI=1S/C20H34O2Si/c1-14-10-15(2)19-16(11-14)8-9-17(18(19)12-21)13-22-23(6,7)20(3,4)5/h8-9,14-15,21H,10-13H2,1-7H3/t14-,15+/m0/s1.
What are the key properties of [(6S,8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl]methanol?
[(6S,8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl]methanol has a molecular weight of 334.58 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S,8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl]methanol is sourced from PubChem (CID 102212834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).