1,1-dimethyl-2,3,4,5-tetrahydrocyclopenta[b]siline

C10H16Si — CID 18990725

IUPAC1,1-dimethyl-2,3,4,5-tetrahydrocyclopenta[b]siline
SMILESC[Si]1(C)CCCC2=C1C=CC2
InChIInChI=1S/C10H16Si/c1-11(2)8-4-6-9-5-3-7-10(9)11/h3,7H,4-6,8H2,1-2H3
InChIKeyVXOQWVGOVFCURT-UHFFFAOYSA-N
MW164.32 g/mol
LogP3.28
Rot. Bonds

About 1,1-dimethyl-2,3,4,5-tetrahydrocyclopenta[b]siline

1,1-dimethyl-2,3,4,5-tetrahydrocyclopenta[b]siline (PubChem CID 18990725) has the molecular formula C10H16Si and a molecular weight of 164.32 g/mol. Its IUPAC name is 1,1-dimethyl-2,3,4,5-tetrahydrocyclopenta[b]siline.

Molecular Properties

Compound Name1,1-dimethyl-2,3,4,5-tetrahydrocyclopenta[b]siline
PubChem CID18990725
Molecular FormulaC10H16Si
Molecular Weight164.32 g/mol
Exact Mass164.10
IUPAC Name1,1-dimethyl-2,3,4,5-tetrahydrocyclopenta[b]siline
SMILESC[Si]1(C)CCCC2=C1C=CC2
InChIInChI=1S/C10H16Si/c1-11(2)8-4-6-9-5-3-7-10(9)11/h3,7H,4-6,8H2,1-2H3
InChIKeyVXOQWVGOVFCURT-UHFFFAOYSA-N
XLogP3.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.32
LogP ≤ 53.28
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 1,1-dimethyl-2,3,4,5-tetrahydrocyclopenta[b]siline?
The IUPAC name of 1,1-dimethyl-2,3,4,5-tetrahydrocyclopenta[b]siline (CID 18990725) is 1,1-dimethyl-2,3,4,5-tetrahydrocyclopenta[b]siline.
What is the SMILES notation for 1,1-dimethyl-2,3,4,5-tetrahydrocyclopenta[b]siline?
The canonical SMILES for 1,1-dimethyl-2,3,4,5-tetrahydrocyclopenta[b]siline is C[Si]1(C)CCCC2=C1C=CC2.
What is the InChIKey of 1,1-dimethyl-2,3,4,5-tetrahydrocyclopenta[b]siline?
The InChIKey is VXOQWVGOVFCURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Si/c1-11(2)8-4-6-9-5-3-7-10(9)11/h3,7H,4-6,8H2,1-2H3.
What are the key properties of 1,1-dimethyl-2,3,4,5-tetrahydrocyclopenta[b]siline?
1,1-dimethyl-2,3,4,5-tetrahydrocyclopenta[b]siline has a molecular weight of 164.32 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2,3,4,5-tetrahydrocyclopenta[b]siline is sourced from PubChem (CID 18990725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).