(1R,4S,4aS,8aS)-4-[tert-butyl(dimethyl)silyl]oxy-1,4a,8-trimethyl-2,3,4,5,6,8a-hexahydronaphthalen-1-ol

C19H36O2Si — CID 10019176

IUPAC(1R,4S,4aS,8aS)-4-[tert-butyl(dimethyl)silyl]oxy-1,4a,8-trimethyl-2,3,4,5,6,8a-hexahydronaphthalen-1-ol
SMILESCC1=CCC[C@]2(C)[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@@](C)(O)[C@@H]12
InChIInChI=1S/C19H36O2Si/c1-14-10-9-12-18(5)15(11-13-19(6,20)16(14)18)21-22(7,8)17(2,3)4/h10,15-16,20H,9,11-13H2,1-8H3/t15-,16-,18+,19+/m0/s1
InChIKeyQKAHSUBHGQUCMP-RNIPGJKVSA-N
MW324.58 g/mol
LogP5.28
Rot. Bonds2

About (1R,4S,4aS,8aS)-4-[tert-butyl(dimethyl)silyl]oxy-1,4a,8-trimethyl-2,3,4,5,6,8a-hexahydronaphthalen-1-ol

(1R,4S,4aS,8aS)-4-[tert-butyl(dimethyl)silyl]oxy-1,4a,8-trimethyl-2,3,4,5,6,8a-hexahydronaphthalen-1-ol (PubChem CID 10019176) has the molecular formula C19H36O2Si and a molecular weight of 324.58 g/mol. Its IUPAC name is (1R,4S,4aS,8aS)-4-[tert-butyl(dimethyl)silyl]oxy-1,4a,8-trimethyl-2,3,4,5,6,8a-hexahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1R,4S,4aS,8aS)-4-[tert-butyl(dimethyl)silyl]oxy-1,4a,8-trimethyl-2,3,4,5,6,8a-hexahydronaphthalen-1-ol
PubChem CID10019176
Molecular FormulaC19H36O2Si
Molecular Weight324.58 g/mol
Exact Mass324.25
IUPAC Name(1R,4S,4aS,8aS)-4-[tert-butyl(dimethyl)silyl]oxy-1,4a,8-trimethyl-2,3,4,5,6,8a-hexahydronaphthalen-1-ol
SMILESCC1=CCC[C@]2(C)[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@@](C)(O)[C@@H]12
InChIInChI=1S/C19H36O2Si/c1-14-10-9-12-18(5)15(11-13-19(6,20)16(14)18)21-22(7,8)17(2,3)4/h10,15-16,20H,9,11-13H2,1-8H3/t15-,16-,18+,19+/m0/s1
InChIKeyQKAHSUBHGQUCMP-RNIPGJKVSA-N
XLogP5.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.58
LogP ≤ 55.28
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 (1R,4S,4aS,8aS)-4-[tert-butyl(dimethyl)silyl]oxy-1,4a,8-trimethyl-2,3,4,5,6,8a-hexahydronaphthalen-1-ol?
The IUPAC name of (1R,4S,4aS,8aS)-4-[tert-butyl(dimethyl)silyl]oxy-1,4a,8-trimethyl-2,3,4,5,6,8a-hexahydronaphthalen-1-ol (CID 10019176) is (1R,4S,4aS,8aS)-4-[tert-butyl(dimethyl)silyl]oxy-1,4a,8-trimethyl-2,3,4,5,6,8a-hexahydronaphthalen-1-ol.
What is the SMILES notation for (1R,4S,4aS,8aS)-4-[tert-butyl(dimethyl)silyl]oxy-1,4a,8-trimethyl-2,3,4,5,6,8a-hexahydronaphthalen-1-ol?
The canonical SMILES for (1R,4S,4aS,8aS)-4-[tert-butyl(dimethyl)silyl]oxy-1,4a,8-trimethyl-2,3,4,5,6,8a-hexahydronaphthalen-1-ol is CC1=CCC[C@]2(C)[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@@](C)(O)[C@@H]12.
What is the InChIKey of (1R,4S,4aS,8aS)-4-[tert-butyl(dimethyl)silyl]oxy-1,4a,8-trimethyl-2,3,4,5,6,8a-hexahydronaphthalen-1-ol?
The InChIKey is QKAHSUBHGQUCMP-RNIPGJKVSA-N. The full InChI is InChI=1S/C19H36O2Si/c1-14-10-9-12-18(5)15(11-13-19(6,20)16(14)18)21-22(7,8)17(2,3)4/h10,15-16,20H,9,11-13H2,1-8H3/t15-,16-,18+,19+/m0/s1.
What are the key properties of (1R,4S,4aS,8aS)-4-[tert-butyl(dimethyl)silyl]oxy-1,4a,8-trimethyl-2,3,4,5,6,8a-hexahydronaphthalen-1-ol?
(1R,4S,4aS,8aS)-4-[tert-butyl(dimethyl)silyl]oxy-1,4a,8-trimethyl-2,3,4,5,6,8a-hexahydronaphthalen-1-ol has a molecular weight of 324.58 g/mol, XLogP of 5.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,4aS,8aS)-4-[tert-butyl(dimethyl)silyl]oxy-1,4a,8-trimethyl-2,3,4,5,6,8a-hexahydronaphthalen-1-ol is sourced from PubChem (CID 10019176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).