1,2,3,3a,5,6,7,8a-octahydro-s-indacen-1-ylmethyl(trimethyl)silane

C16H26Si — CID 153422187

IUPAC1,2,3,3a,5,6,7,8a-octahydro-s-indacen-1-ylmethyl(trimethyl)silane
SMILESC[Si](C)(C)CC1CCC2C=C3CCCC3=CC21
InChIInChI=1S/C16H26Si/c1-17(2,3)11-15-8-7-14-9-12-5-4-6-13(12)10-16(14)15/h9-10,14-16H,4-8,11H2,1-3H3
InChIKeyJFCVBACLXQEZDS-UHFFFAOYSA-N
MW246.47 g/mol
LogP5.02
Rot. Bonds2

About 1,2,3,3a,5,6,7,8a-octahydro-s-indacen-1-ylmethyl(trimethyl)silane

1,2,3,3a,5,6,7,8a-octahydro-s-indacen-1-ylmethyl(trimethyl)silane (PubChem CID 153422187) has the molecular formula C16H26Si and a molecular weight of 246.47 g/mol. Its IUPAC name is 1,2,3,3a,5,6,7,8a-octahydro-s-indacen-1-ylmethyl(trimethyl)silane.

Molecular Properties

Compound Name1,2,3,3a,5,6,7,8a-octahydro-s-indacen-1-ylmethyl(trimethyl)silane
PubChem CID153422187
Molecular FormulaC16H26Si
Molecular Weight246.47 g/mol
Exact Mass246.18
IUPAC Name1,2,3,3a,5,6,7,8a-octahydro-s-indacen-1-ylmethyl(trimethyl)silane
SMILESC[Si](C)(C)CC1CCC2C=C3CCCC3=CC21
InChIInChI=1S/C16H26Si/c1-17(2,3)11-15-8-7-14-9-12-5-4-6-13(12)10-16(14)15/h9-10,14-16H,4-8,11H2,1-3H3
InChIKeyJFCVBACLXQEZDS-UHFFFAOYSA-N
XLogP5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.47
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,5,6,7,8a-octahydro-s-indacen-1-ylmethyl(trimethyl)silane?
The IUPAC name of 1,2,3,3a,5,6,7,8a-octahydro-s-indacen-1-ylmethyl(trimethyl)silane (CID 153422187) is 1,2,3,3a,5,6,7,8a-octahydro-s-indacen-1-ylmethyl(trimethyl)silane.
What is the SMILES notation for 1,2,3,3a,5,6,7,8a-octahydro-s-indacen-1-ylmethyl(trimethyl)silane?
The canonical SMILES for 1,2,3,3a,5,6,7,8a-octahydro-s-indacen-1-ylmethyl(trimethyl)silane is C[Si](C)(C)CC1CCC2C=C3CCCC3=CC21.
What is the InChIKey of 1,2,3,3a,5,6,7,8a-octahydro-s-indacen-1-ylmethyl(trimethyl)silane?
The InChIKey is JFCVBACLXQEZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26Si/c1-17(2,3)11-15-8-7-14-9-12-5-4-6-13(12)10-16(14)15/h9-10,14-16H,4-8,11H2,1-3H3.
What are the key properties of 1,2,3,3a,5,6,7,8a-octahydro-s-indacen-1-ylmethyl(trimethyl)silane?
1,2,3,3a,5,6,7,8a-octahydro-s-indacen-1-ylmethyl(trimethyl)silane has a molecular weight of 246.47 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,5,6,7,8a-octahydro-s-indacen-1-ylmethyl(trimethyl)silane is sourced from PubChem (CID 153422187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).