[(1S,4aR,5R,8aR)-5-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalen-1-yl]methanol

C19H36O2Si — CID 10853466

IUPAC[(1S,4aR,5R,8aR)-5-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalen-1-yl]methanol
SMILESC=C[C@]1(O[Si](C)(C)C(C)(C)C)CCC[C@@H]2[C@@H](CO)CCC[C@H]21
InChIInChI=1S/C19H36O2Si/c1-7-19(21-22(5,6)18(2,3)4)13-9-11-16-15(14-20)10-8-12-17(16)19/h7,15-17,20H,1,8-14H2,2-6H3/t15-,16-,17-,19+/m1/s1
InChIKeyWTGJJMNFSTZMFP-MTNOOBJLSA-N
MW324.58 g/mol
LogP5.14
Rot. Bonds4

About [(1S,4aR,5R,8aR)-5-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalen-1-yl]methanol

[(1S,4aR,5R,8aR)-5-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalen-1-yl]methanol (PubChem CID 10853466) has the molecular formula C19H36O2Si and a molecular weight of 324.58 g/mol. Its IUPAC name is [(1S,4aR,5R,8aR)-5-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalen-1-yl]methanol.

Molecular Properties

Compound Name[(1S,4aR,5R,8aR)-5-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalen-1-yl]methanol
PubChem CID10853466
Molecular FormulaC19H36O2Si
Molecular Weight324.58 g/mol
Exact Mass324.25
IUPAC Name[(1S,4aR,5R,8aR)-5-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalen-1-yl]methanol
SMILESC=C[C@]1(O[Si](C)(C)C(C)(C)C)CCC[C@@H]2[C@@H](CO)CCC[C@H]21
InChIInChI=1S/C19H36O2Si/c1-7-19(21-22(5,6)18(2,3)4)13-9-11-16-15(14-20)10-8-12-17(16)19/h7,15-17,20H,1,8-14H2,2-6H3/t15-,16-,17-,19+/m1/s1
InChIKeyWTGJJMNFSTZMFP-MTNOOBJLSA-N
XLogP5.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.58
LogP ≤ 55.14
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

[(1R,2R,3R)-1,3-bis(ethenyl)-2-prop-2-enylcyclohexyl]oxy-tert-butyl-dimethylsilane
CID 10590805
(5,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalen-1-yl)methanol
CID 57356126
[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]methanol
CID 67782499
[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]methanol
CID 170904797
[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]methanol
CID 170904845
tert-butyl-[[(1R,2R)-2-[(1S)-1-methoxyprop-2-enyl]cyclobutyl]methoxy]-dimethylsilane;methanol;[(1R,2R)-2-[(1S)-1-methoxyprop-2-enyl]cyclobutyl]methanol
CID 164991036
trans-(2S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-6-prop-2-enylcyclohexan-1-one
CID 102011598
tert-butyl-dimethyl-(1-prop-2-enylcyclobutyl)oxysilane
CID 66844818
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2,2-dimethylcyclohexan-1-ol
CID 101333022
[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol
CID 69296261
tert-butyl-[(4-ethenyl-4-methoxycyclohexyl)methoxy]-dimethylsilane
CID 123320294
(1S,3aS,4S,6aS)-3a,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2,3,4,5,6,6a-hexahydro-1H-pentalen-1-ol
CID 11326644

Frequently Asked Questions

What is the IUPAC name of [(1S,4aR,5R,8aR)-5-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalen-1-yl]methanol?
The IUPAC name of [(1S,4aR,5R,8aR)-5-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalen-1-yl]methanol (CID 10853466) is [(1S,4aR,5R,8aR)-5-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalen-1-yl]methanol.
What is the SMILES notation for [(1S,4aR,5R,8aR)-5-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalen-1-yl]methanol?
The canonical SMILES for [(1S,4aR,5R,8aR)-5-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalen-1-yl]methanol is C=C[C@]1(O[Si](C)(C)C(C)(C)C)CCC[C@@H]2[C@@H](CO)CCC[C@H]21.
What is the InChIKey of [(1S,4aR,5R,8aR)-5-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalen-1-yl]methanol?
The InChIKey is WTGJJMNFSTZMFP-MTNOOBJLSA-N. The full InChI is InChI=1S/C19H36O2Si/c1-7-19(21-22(5,6)18(2,3)4)13-9-11-16-15(14-20)10-8-12-17(16)19/h7,15-17,20H,1,8-14H2,2-6H3/t15-,16-,17-,19+/m1/s1.
What are the key properties of [(1S,4aR,5R,8aR)-5-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalen-1-yl]methanol?
[(1S,4aR,5R,8aR)-5-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalen-1-yl]methanol has a molecular weight of 324.58 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4aR,5R,8aR)-5-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalen-1-yl]methanol is sourced from PubChem (CID 10853466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).