1-cyclopenta-2,4-dien-1-yl-1-methylsiletane

C9H14Si — CID 12597990

IUPAC1-cyclopenta-2,4-dien-1-yl-1-methylsiletane
SMILESC[Si]1(C2C=CC=C2)CCC1
InChIInChI=1S/C9H14Si/c1-10(7-4-8-10)9-5-2-3-6-9/h2-3,5-6,9H,4,7-8H2,1H3
InChIKeyKSQKWCRMSMUKQT-UHFFFAOYSA-N
MW150.30 g/mol
LogP2.96
Rot. Bonds1

About 1-cyclopenta-2,4-dien-1-yl-1-methylsiletane

1-cyclopenta-2,4-dien-1-yl-1-methylsiletane (PubChem CID 12597990) has the molecular formula C9H14Si and a molecular weight of 150.30 g/mol. Its IUPAC name is 1-cyclopenta-2,4-dien-1-yl-1-methylsiletane.

Molecular Properties

Compound Name1-cyclopenta-2,4-dien-1-yl-1-methylsiletane
PubChem CID12597990
Molecular FormulaC9H14Si
Molecular Weight150.30 g/mol
Exact Mass150.09
IUPAC Name1-cyclopenta-2,4-dien-1-yl-1-methylsiletane
SMILESC[Si]1(C2C=CC=C2)CCC1
InChIInChI=1S/C9H14Si/c1-10(7-4-8-10)9-5-2-3-6-9/h2-3,5-6,9H,4,7-8H2,1H3
InChIKeyKSQKWCRMSMUKQT-UHFFFAOYSA-N
XLogP2.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.30
LogP ≤ 52.96
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-cyclopenta-2,4-dien-1-yl-1-methylsiletane?
The IUPAC name of 1-cyclopenta-2,4-dien-1-yl-1-methylsiletane (CID 12597990) is 1-cyclopenta-2,4-dien-1-yl-1-methylsiletane.
What is the SMILES notation for 1-cyclopenta-2,4-dien-1-yl-1-methylsiletane?
The canonical SMILES for 1-cyclopenta-2,4-dien-1-yl-1-methylsiletane is C[Si]1(C2C=CC=C2)CCC1.
What is the InChIKey of 1-cyclopenta-2,4-dien-1-yl-1-methylsiletane?
The InChIKey is KSQKWCRMSMUKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Si/c1-10(7-4-8-10)9-5-2-3-6-9/h2-3,5-6,9H,4,7-8H2,1H3.
What are the key properties of 1-cyclopenta-2,4-dien-1-yl-1-methylsiletane?
1-cyclopenta-2,4-dien-1-yl-1-methylsiletane has a molecular weight of 150.30 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-2,4-dien-1-yl-1-methylsiletane is sourced from PubChem (CID 12597990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).