tert-butyl-[(1S)-1,3-dimethyl-1,8a-dihydroazulen-2-yl]-dimethylsilane

C18H28Si — CID 134887101

IUPACtert-butyl-[(1S)-1,3-dimethyl-1,8a-dihydroazulen-2-yl]-dimethylsilane
SMILESCC1=C([Si](C)(C)C(C)(C)C)[C@@H](C)C2C=CC=CC=C12
InChIInChI=1S/C18H28Si/c1-13-15-11-9-8-10-12-16(15)14(2)17(13)19(6,7)18(3,4)5/h8-13,15H,1-7H3/t13-,15?/m0/s1
InChIKeyWAZXTOUSPSKRDM-CFMCSPIPSA-N
MW272.51 g/mol
LogP5.67
Rot. Bonds1

About tert-butyl-[(1S)-1,3-dimethyl-1,8a-dihydroazulen-2-yl]-dimethylsilane

tert-butyl-[(1S)-1,3-dimethyl-1,8a-dihydroazulen-2-yl]-dimethylsilane (PubChem CID 134887101) has the molecular formula C18H28Si and a molecular weight of 272.51 g/mol. Its IUPAC name is tert-butyl-[(1S)-1,3-dimethyl-1,8a-dihydroazulen-2-yl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S)-1,3-dimethyl-1,8a-dihydroazulen-2-yl]-dimethylsilane
PubChem CID134887101
Molecular FormulaC18H28Si
Molecular Weight272.51 g/mol
Exact Mass272.20
IUPAC Nametert-butyl-[(1S)-1,3-dimethyl-1,8a-dihydroazulen-2-yl]-dimethylsilane
SMILESCC1=C([Si](C)(C)C(C)(C)C)[C@@H](C)C2C=CC=CC=C12
InChIInChI=1S/C18H28Si/c1-13-15-11-9-8-10-12-16(15)14(2)17(13)19(6,7)18(3,4)5/h8-13,15H,1-7H3/t13-,15?/m0/s1
InChIKeyWAZXTOUSPSKRDM-CFMCSPIPSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.51
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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(5-Butylcyclopenta-1,3-dien-1-yl)-trimethylsilane
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(S,E)-triethyl(2-(4-(prop-1-en-2-yl)cyclohex-1-en-1-yl)vinyl)silane
CID 154701868
Bicyclo[4.2.1]nona-2,4,7-triene, 7-(trimethylsilylmethyl)-
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Trimethyl-(2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane
CID 12547571
(2-Butan-2-ylcyclopenta-2,4-dien-1-yl)-trimethylsilane
CID 12547572
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CID 18970754
(2-Butan-2-ylcyclopenta-1,3-dien-1-yl)-[3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-dimethylsilane
CID 19710422
bis(2,7a-dihydro-1H-inden-1-yl)-dimethylsilane
CID 20691833
Trimethyl-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane
CID 21188919
2-Ethyl-4-propan-2-yl-1,4-dihydroazulene
CID 21188928
Chloro-dimethyl-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S)-1,3-dimethyl-1,8a-dihydroazulen-2-yl]-dimethylsilane?
The IUPAC name of tert-butyl-[(1S)-1,3-dimethyl-1,8a-dihydroazulen-2-yl]-dimethylsilane (CID 134887101) is tert-butyl-[(1S)-1,3-dimethyl-1,8a-dihydroazulen-2-yl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S)-1,3-dimethyl-1,8a-dihydroazulen-2-yl]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S)-1,3-dimethyl-1,8a-dihydroazulen-2-yl]-dimethylsilane is CC1=C([Si](C)(C)C(C)(C)C)[C@@H](C)C2C=CC=CC=C12.
What is the InChIKey of tert-butyl-[(1S)-1,3-dimethyl-1,8a-dihydroazulen-2-yl]-dimethylsilane?
The InChIKey is WAZXTOUSPSKRDM-CFMCSPIPSA-N. The full InChI is InChI=1S/C18H28Si/c1-13-15-11-9-8-10-12-16(15)14(2)17(13)19(6,7)18(3,4)5/h8-13,15H,1-7H3/t13-,15?/m0/s1.
What are the key properties of tert-butyl-[(1S)-1,3-dimethyl-1,8a-dihydroazulen-2-yl]-dimethylsilane?
tert-butyl-[(1S)-1,3-dimethyl-1,8a-dihydroazulen-2-yl]-dimethylsilane has a molecular weight of 272.51 g/mol, XLogP of 5.67, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S)-1,3-dimethyl-1,8a-dihydroazulen-2-yl]-dimethylsilane is sourced from PubChem (CID 134887101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).