(8S,8aR)-8-methyl-8a-triethylsilyloxy-2,3,5,6,7,8-hexahydro-1H-azulen-5-ol

C17H32O2Si — CID 11369957

IUPAC(8S,8aR)-8-methyl-8a-triethylsilyloxy-2,3,5,6,7,8-hexahydro-1H-azulen-5-ol
SMILESCC[Si](CC)(CC)O[C@@]12CCCC1=CC(O)CC[C@@H]2C
InChIInChI=1S/C17H32O2Si/c1-5-20(6-2,7-3)19-17-12-8-9-15(17)13-16(18)11-10-14(17)4/h13-14,16,18H,5-12H2,1-4H3/t14-,16?,17+/m0/s1
InChIKeyHNLVKPBLWFXQPE-DRXWIORDSA-N
MW296.53 g/mol
LogP4.65
Rot. Bonds5

About (8S,8aR)-8-methyl-8a-triethylsilyloxy-2,3,5,6,7,8-hexahydro-1H-azulen-5-ol

(8S,8aR)-8-methyl-8a-triethylsilyloxy-2,3,5,6,7,8-hexahydro-1H-azulen-5-ol (PubChem CID 11369957) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is (8S,8aR)-8-methyl-8a-triethylsilyloxy-2,3,5,6,7,8-hexahydro-1H-azulen-5-ol.

Molecular Properties

Compound Name(8S,8aR)-8-methyl-8a-triethylsilyloxy-2,3,5,6,7,8-hexahydro-1H-azulen-5-ol
PubChem CID11369957
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name(8S,8aR)-8-methyl-8a-triethylsilyloxy-2,3,5,6,7,8-hexahydro-1H-azulen-5-ol
SMILESCC[Si](CC)(CC)O[C@@]12CCCC1=CC(O)CC[C@@H]2C
InChIInChI=1S/C17H32O2Si/c1-5-20(6-2,7-3)19-17-12-8-9-15(17)13-16(18)11-10-14(17)4/h13-14,16,18H,5-12H2,1-4H3/t14-,16?,17+/m0/s1
InChIKeyHNLVKPBLWFXQPE-DRXWIORDSA-N
XLogP4.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.53
LogP ≤ 54.65
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,2S,4R,7R,8aS)-1,4-dimethyl-7-prop-1-en-2-yl-2,5,6,7,8,8a-hexahydro-1H-azulene-2,4-diol
CID 145967553
(1S,2S,3aR,4R,8aS)-2-[tert-butyl(dimethyl)silyl]oxy-1,4-dimethyl-2,3,3a,5,6,8a-hexahydro-1H-azulen-4-ol
CID 11034272
(3S,3aS)-3-[(1R)-1-triethylsilyloxyethyl]-6-(triethylsilyloxymethyl)-2,3,4,5-tetrahydro-1H-azulen-3a-ol
CID 24750020
(1R,3aR,4S,5R,8aS)-5-[tert-butyl(dimethyl)silyl]oxy-1,4-dimethyl-7-propan-2-yl-2,3,3a,5,6,8a-hexahydro-1H-azulen-4-ol
CID 53349037
(1Z,3S,12R,13S,15R)-13-[tert-butyl(dimethyl)silyl]oxy-15-propan-2-ylbicyclo[10.2.1]pentadec-1-en-3-ol
CID 101049806
(1S,3aR,4R,7S)-7-(2-hydroxypropan-2-yl)-1-methyl-4-[tri(propan-2-yl)silyloxymethyl]-3,3a,4,7-tetrahydro-2H-azulen-1-ol
CID 102158595
(4S,6R,7S,8S)-4-[tert-butyl(dimethyl)silyl]oxy-8-ethenyl-7-[(1S)-1-hydroxyprop-2-enyl]-1,5,6-trimethylbicyclo[3.2.1]oct-2-en-6-ol
CID 134839128
(1S,3R,3aR,5aR,8S)-1-[tert-butyl(dimethyl)silyl]oxy-9-(hydroxymethyl)-3a,5a-dimethyl-3-propan-2-yl-1,2,3,4,5,6,7,8-octahydrobenzo[f]azulen-8-ol
CID 134865611
(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
trans-(1S,2S)-1-(cyclopenten-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
CID 134931231
(1R,4S,5S,7S)-4-[tert-butyl(dimethyl)silyl]oxy-5,8,8-trimethyl-3-prop-2-enylbicyclo[5.1.0]oct-2-en-1-ol
CID 134952997
(1E,3R,12R,13S,15R)-13-[tert-butyl(dimethyl)silyl]oxy-15-propan-2-ylbicyclo[10.2.1]pentadec-1-en-3-ol
CID 135067891

Frequently Asked Questions

What is the IUPAC name of (8S,8aR)-8-methyl-8a-triethylsilyloxy-2,3,5,6,7,8-hexahydro-1H-azulen-5-ol?
The IUPAC name of (8S,8aR)-8-methyl-8a-triethylsilyloxy-2,3,5,6,7,8-hexahydro-1H-azulen-5-ol (CID 11369957) is (8S,8aR)-8-methyl-8a-triethylsilyloxy-2,3,5,6,7,8-hexahydro-1H-azulen-5-ol.
What is the SMILES notation for (8S,8aR)-8-methyl-8a-triethylsilyloxy-2,3,5,6,7,8-hexahydro-1H-azulen-5-ol?
The canonical SMILES for (8S,8aR)-8-methyl-8a-triethylsilyloxy-2,3,5,6,7,8-hexahydro-1H-azulen-5-ol is CC[Si](CC)(CC)O[C@@]12CCCC1=CC(O)CC[C@@H]2C.
What is the InChIKey of (8S,8aR)-8-methyl-8a-triethylsilyloxy-2,3,5,6,7,8-hexahydro-1H-azulen-5-ol?
The InChIKey is HNLVKPBLWFXQPE-DRXWIORDSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-5-20(6-2,7-3)19-17-12-8-9-15(17)13-16(18)11-10-14(17)4/h13-14,16,18H,5-12H2,1-4H3/t14-,16?,17+/m0/s1.
What are the key properties of (8S,8aR)-8-methyl-8a-triethylsilyloxy-2,3,5,6,7,8-hexahydro-1H-azulen-5-ol?
(8S,8aR)-8-methyl-8a-triethylsilyloxy-2,3,5,6,7,8-hexahydro-1H-azulen-5-ol has a molecular weight of 296.53 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,8aR)-8-methyl-8a-triethylsilyloxy-2,3,5,6,7,8-hexahydro-1H-azulen-5-ol is sourced from PubChem (CID 11369957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).