chloro-dimethyl-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane

C16H23ClSi — CID 21188954

IUPACchloro-dimethyl-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane
SMILESCC1=CC2=C(C=CC=CC2C(C)C)C1[Si](C)(C)Cl
InChIInChI=1S/C16H23ClSi/c1-11(2)13-8-6-7-9-14-15(13)10-12(3)16(14)18(4,5)17/h6-11,13,16H,1-5H3
InChIKeyNJCJOKXZOJLNGN-UHFFFAOYSA-N
MW278.90 g/mol
LogP5.46
Rot. Bonds2

About chloro-dimethyl-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane

chloro-dimethyl-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane (PubChem CID 21188954) has the molecular formula C16H23ClSi and a molecular weight of 278.90 g/mol. Its IUPAC name is chloro-dimethyl-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane.

Molecular Properties

Compound Namechloro-dimethyl-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane
PubChem CID21188954
Molecular FormulaC16H23ClSi
Molecular Weight278.90 g/mol
Exact Mass278.13
IUPAC Namechloro-dimethyl-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane
SMILESCC1=CC2=C(C=CC=CC2C(C)C)C1[Si](C)(C)Cl
InChIInChI=1S/C16H23ClSi/c1-11(2)13-8-6-7-9-14-15(13)10-12(3)16(14)18(4,5)17/h6-11,13,16H,1-5H3
InChIKeyNJCJOKXZOJLNGN-UHFFFAOYSA-N
XLogP5.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.90
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(1S)-1,3-dimethyl-1,8a-dihydroazulen-2-yl]-dimethylsilane
CID 134887101
Trimethyl-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane
CID 21188919
Dimethyl-bis(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane
CID 54029016
Chloro-methyl-bis(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane
CID 54124270
Bis(1,3a-dihydroazulen-1-yl)-dimethylsilane
CID 66779572
Chloro-dimethyl-(2-methyl-4-propan-2-ylcyclopenta-1,3-dien-1-yl)silane
CID 67291366
Chloro-(3-cyclopenta-2,4-dien-1-ylpropyl)-dimethylsilane
CID 85726355
Chloro-[2,4-di(propan-2-yl)cyclopenta-2,4-dien-1-yl]-dimethylsilane
CID 85764667
(3-Cyclopenta-1,3-dien-1-yl-2,4-dimethyl-1,4-dihydroazulen-1-id-5-ylidene)-dimethylsilane;dichlorozirconium
CID 87910132
1,1,2,3-tetramethyl-3,6,7,8-tetrahydro-2H-cyclohepta[b]silole
CID 91392006
[4-(2,5-Dimethylhexan-3-yl)-1-methylcyclohepta-2,4,6-trien-1-yl]methyl-dimethyl-prop-2-enylsilane
CID 123316880
Chloro-[4-(3,3-dimethylbutan-2-yl)-2-methylcyclopenta-2,4-dien-1-yl]-dimethylsilane
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Frequently Asked Questions

What is the IUPAC name of chloro-dimethyl-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane?
The IUPAC name of chloro-dimethyl-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane (CID 21188954) is chloro-dimethyl-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane.
What is the SMILES notation for chloro-dimethyl-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane?
The canonical SMILES for chloro-dimethyl-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane is CC1=CC2=C(C=CC=CC2C(C)C)C1[Si](C)(C)Cl.
What is the InChIKey of chloro-dimethyl-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane?
The InChIKey is NJCJOKXZOJLNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClSi/c1-11(2)13-8-6-7-9-14-15(13)10-12(3)16(14)18(4,5)17/h6-11,13,16H,1-5H3.
What are the key properties of chloro-dimethyl-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane?
chloro-dimethyl-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane has a molecular weight of 278.90 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-dimethyl-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane is sourced from PubChem (CID 21188954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).