(3-ethynylcyclohexa-2,4-dien-1-ylidene)-methylsilane

C9H10Si — CID 173168249

IUPAC(3-ethynylcyclohexa-2,4-dien-1-ylidene)-methylsilane
SMILESC#CC1=CC(=[SiH]C)CC=C1
InChIInChI=1S/C9H10Si/c1-3-8-5-4-6-9(7-8)10-2/h1,4-5,7,10H,6H2,2H3
InChIKeyFZWLMXVTJXLAER-UHFFFAOYSA-N
MW146.26 g/mol
LogP1.16
Rot. Bonds

About (3-ethynylcyclohexa-2,4-dien-1-ylidene)-methylsilane

(3-ethynylcyclohexa-2,4-dien-1-ylidene)-methylsilane (PubChem CID 173168249) has the molecular formula C9H10Si and a molecular weight of 146.26 g/mol. Its IUPAC name is (3-ethynylcyclohexa-2,4-dien-1-ylidene)-methylsilane.

Molecular Properties

Compound Name(3-ethynylcyclohexa-2,4-dien-1-ylidene)-methylsilane
PubChem CID173168249
Molecular FormulaC9H10Si
Molecular Weight146.26 g/mol
Exact Mass146.06
IUPAC Name(3-ethynylcyclohexa-2,4-dien-1-ylidene)-methylsilane
SMILESC#CC1=CC(=[SiH]C)CC=C1
InChIInChI=1S/C9H10Si/c1-3-8-5-4-6-9(7-8)10-2/h1,4-5,7,10H,6H2,2H3
InChIKeyFZWLMXVTJXLAER-UHFFFAOYSA-N
XLogP1.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.26
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-ethynylcyclohexa-2,4-dien-1-ylidene)-methylsilane?
The IUPAC name of (3-ethynylcyclohexa-2,4-dien-1-ylidene)-methylsilane (CID 173168249) is (3-ethynylcyclohexa-2,4-dien-1-ylidene)-methylsilane.
What is the SMILES notation for (3-ethynylcyclohexa-2,4-dien-1-ylidene)-methylsilane?
The canonical SMILES for (3-ethynylcyclohexa-2,4-dien-1-ylidene)-methylsilane is C#CC1=CC(=[SiH]C)CC=C1.
What is the InChIKey of (3-ethynylcyclohexa-2,4-dien-1-ylidene)-methylsilane?
The InChIKey is FZWLMXVTJXLAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Si/c1-3-8-5-4-6-9(7-8)10-2/h1,4-5,7,10H,6H2,2H3.
What are the key properties of (3-ethynylcyclohexa-2,4-dien-1-ylidene)-methylsilane?
(3-ethynylcyclohexa-2,4-dien-1-ylidene)-methylsilane has a molecular weight of 146.26 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethynylcyclohexa-2,4-dien-1-ylidene)-methylsilane is sourced from PubChem (CID 173168249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).