(1S,8aR)-7-(2-hydroxyethyl)-4-trimethylsilyl-1,2,3,5,6,8a-hexahydroazulen-1-ol

C15H26O2Si — CID 101268556

IUPAC(1S,8aR)-7-(2-hydroxyethyl)-4-trimethylsilyl-1,2,3,5,6,8a-hexahydroazulen-1-ol
SMILESC[Si](C)(C)C1=C2CC[C@H](O)[C@@H]2C=C(CCO)CC1
InChIInChI=1S/C15H26O2Si/c1-18(2,3)15-7-4-11(8-9-16)10-13-12(15)5-6-14(13)17/h10,13-14,16-17H,4-9H2,1-3H3/t13-,14+/m1/s1
InChIKeyOXSYPWVQLAYNOP-KGLIPLIRSA-N
MW266.46 g/mol
LogP3.03
Rot. Bonds3

About (1S,8aR)-7-(2-hydroxyethyl)-4-trimethylsilyl-1,2,3,5,6,8a-hexahydroazulen-1-ol

(1S,8aR)-7-(2-hydroxyethyl)-4-trimethylsilyl-1,2,3,5,6,8a-hexahydroazulen-1-ol (PubChem CID 101268556) has the molecular formula C15H26O2Si and a molecular weight of 266.46 g/mol. Its IUPAC name is (1S,8aR)-7-(2-hydroxyethyl)-4-trimethylsilyl-1,2,3,5,6,8a-hexahydroazulen-1-ol.

Molecular Properties

Compound Name(1S,8aR)-7-(2-hydroxyethyl)-4-trimethylsilyl-1,2,3,5,6,8a-hexahydroazulen-1-ol
PubChem CID101268556
Molecular FormulaC15H26O2Si
Molecular Weight266.46 g/mol
Exact Mass266.17
IUPAC Name(1S,8aR)-7-(2-hydroxyethyl)-4-trimethylsilyl-1,2,3,5,6,8a-hexahydroazulen-1-ol
SMILESC[Si](C)(C)C1=C2CC[C@H](O)[C@@H]2C=C(CCO)CC1
InChIInChI=1S/C15H26O2Si/c1-18(2,3)15-7-4-11(8-9-16)10-13-12(15)5-6-14(13)17/h10,13-14,16-17H,4-9H2,1-3H3/t13-,14+/m1/s1
InChIKeyOXSYPWVQLAYNOP-KGLIPLIRSA-N
XLogP3.03
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.46
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,8aR)-7-(2-hydroxyethyl)-4-trimethylsilyl-1,2,3,5,6,8a-hexahydroazulen-1-ol with MolForge

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Related Compounds

(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopent-3-en-1-ol
CID 60170022
cis-(1S,2R)-2-[(Z)-2-trimethylsilylethenyl]cyclopentan-1-ol
CID 11344422
(1R,6R,8aS)-3,3,6-trimethyl-7-[tri(propan-2-yl)silyloxymethyl]-2,5,6,8a-tetrahydro-1H-azulen-1-ol
CID 23643475
(6R,8aS)-3,3,6-trimethyl-7-[tri(propan-2-yl)silyloxymethyl]-2,5,6,8a-tetrahydro-1H-azulen-1-ol
CID 134840191
[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-yl]methanol
CID 135010059
cis-(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylidenecyclopentan-1-ol
CID 155936770
2-[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]ethanol
CID 59317318
2-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-ol
CID 67853975
1-Trimethylsilylbicyclo[2.2.1]hept-5-en-2-ol
CID 90788649
2-[(1R)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]ethanol
CID 173725326
[2-(Trimethylsilylmethyl)cyclopent-2-en-1-yl]methanol
CID 10535511
(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-1-ol
CID 10541239

Frequently Asked Questions

What is the IUPAC name of (1S,8aR)-7-(2-hydroxyethyl)-4-trimethylsilyl-1,2,3,5,6,8a-hexahydroazulen-1-ol?
The IUPAC name of (1S,8aR)-7-(2-hydroxyethyl)-4-trimethylsilyl-1,2,3,5,6,8a-hexahydroazulen-1-ol (CID 101268556) is (1S,8aR)-7-(2-hydroxyethyl)-4-trimethylsilyl-1,2,3,5,6,8a-hexahydroazulen-1-ol.
What is the SMILES notation for (1S,8aR)-7-(2-hydroxyethyl)-4-trimethylsilyl-1,2,3,5,6,8a-hexahydroazulen-1-ol?
The canonical SMILES for (1S,8aR)-7-(2-hydroxyethyl)-4-trimethylsilyl-1,2,3,5,6,8a-hexahydroazulen-1-ol is C[Si](C)(C)C1=C2CC[C@H](O)[C@@H]2C=C(CCO)CC1.
What is the InChIKey of (1S,8aR)-7-(2-hydroxyethyl)-4-trimethylsilyl-1,2,3,5,6,8a-hexahydroazulen-1-ol?
The InChIKey is OXSYPWVQLAYNOP-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H26O2Si/c1-18(2,3)15-7-4-11(8-9-16)10-13-12(15)5-6-14(13)17/h10,13-14,16-17H,4-9H2,1-3H3/t13-,14+/m1/s1.
What are the key properties of (1S,8aR)-7-(2-hydroxyethyl)-4-trimethylsilyl-1,2,3,5,6,8a-hexahydroazulen-1-ol?
(1S,8aR)-7-(2-hydroxyethyl)-4-trimethylsilyl-1,2,3,5,6,8a-hexahydroazulen-1-ol has a molecular weight of 266.46 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8aR)-7-(2-hydroxyethyl)-4-trimethylsilyl-1,2,3,5,6,8a-hexahydroazulen-1-ol is sourced from PubChem (CID 101268556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).