2,3,3a,4,5,6-hexahydropentalen-1-yl(trimethyl)silane

C11H20Si — CID 11788630

IUPAC2,3,3a,4,5,6-hexahydropentalen-1-yl(trimethyl)silane
SMILESC[Si](C)(C)C1=C2CCCC2CC1
InChIInChI=1S/C11H20Si/c1-12(2,3)11-8-7-9-5-4-6-10(9)11/h9H,4-8H2,1-3H3
InChIKeyJNTHAKLTSUAORC-UHFFFAOYSA-N
MW180.37 g/mol
LogP3.75
Rot. Bonds1

About 2,3,3a,4,5,6-hexahydropentalen-1-yl(trimethyl)silane

2,3,3a,4,5,6-hexahydropentalen-1-yl(trimethyl)silane (PubChem CID 11788630) has the molecular formula C11H20Si and a molecular weight of 180.37 g/mol. Its IUPAC name is 2,3,3a,4,5,6-hexahydropentalen-1-yl(trimethyl)silane.

Molecular Properties

Compound Name2,3,3a,4,5,6-hexahydropentalen-1-yl(trimethyl)silane
PubChem CID11788630
Molecular FormulaC11H20Si
Molecular Weight180.37 g/mol
Exact Mass180.13
IUPAC Name2,3,3a,4,5,6-hexahydropentalen-1-yl(trimethyl)silane
SMILESC[Si](C)(C)C1=C2CCCC2CC1
InChIInChI=1S/C11H20Si/c1-12(2,3)11-8-7-9-5-4-6-10(9)11/h9H,4-8H2,1-3H3
InChIKeyJNTHAKLTSUAORC-UHFFFAOYSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.37
LogP ≤ 53.75
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

(Bicyclo[4.2.0]oct-6-en-7-yl)(trimethyl)silane
CID 13431437
[(3aE,6Z)-2,3,5,8,9,9a-hexahydro-1H-cyclopenta[8]annulen-4-yl]-trimethylsilane
CID 135031444
trimethyl-(3-methylidene-3a,4,5,6-tetrahydro-2H-pentalen-1-yl)silane
CID 14451676
trimethyl-[2-[(2E)-2-pentylidenecyclopentyl]ethyl]silane
CID 102356643
2-Bicyclo[2.2.1]hept-1-enyl(triethyl)silane
CID 22726329
2-Bicyclo[2.2.1]hept-1-enyl-hydroxy-dimethylsilane
CID 23499932
2-Bicyclo[2.2.1]hept-1-enyl(trimethyl)silane
CID 23499941
2-Bicyclo[2.2.1]hept-4-enyl(trimethyl)silane
CID 57233995
Triethyl-[(3-methyl-2-bicyclo[2.2.1]hept-2-enyl)methyl]silane
CID 123416824
triethyl-[[(1R,4S)-3-methyl-2-bicyclo[2.2.1]hept-2-enyl]methyl]silane
CID 123680223
ethyl-dimethyl-[[(1R,4S)-3-methyl-2-bicyclo[2.2.1]hept-2-enyl]methyl]silane
CID 123821558
Ethyldimethyl(((1SR,4RS)-3-methylbicyclo[2.2.1]hept-2-en-2-yl)methyl)silane
CID 123973100

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6-hexahydropentalen-1-yl(trimethyl)silane?
The IUPAC name of 2,3,3a,4,5,6-hexahydropentalen-1-yl(trimethyl)silane (CID 11788630) is 2,3,3a,4,5,6-hexahydropentalen-1-yl(trimethyl)silane.
What is the SMILES notation for 2,3,3a,4,5,6-hexahydropentalen-1-yl(trimethyl)silane?
The canonical SMILES for 2,3,3a,4,5,6-hexahydropentalen-1-yl(trimethyl)silane is C[Si](C)(C)C1=C2CCCC2CC1.
What is the InChIKey of 2,3,3a,4,5,6-hexahydropentalen-1-yl(trimethyl)silane?
The InChIKey is JNTHAKLTSUAORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20Si/c1-12(2,3)11-8-7-9-5-4-6-10(9)11/h9H,4-8H2,1-3H3.
What are the key properties of 2,3,3a,4,5,6-hexahydropentalen-1-yl(trimethyl)silane?
2,3,3a,4,5,6-hexahydropentalen-1-yl(trimethyl)silane has a molecular weight of 180.37 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6-hexahydropentalen-1-yl(trimethyl)silane is sourced from PubChem (CID 11788630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).