2-trimethylsilylcyclopenta-1,3-diene-1-carbaldehyde

C9H14OSi — CID 15205236

IUPAC2-trimethylsilylcyclopenta-1,3-diene-1-carbaldehyde
SMILESC[Si](C)(C)C1=C(C=O)CC=C1
InChIInChI=1S/C9H14OSi/c1-11(2,3)9-6-4-5-8(9)7-10/h4,6-7H,5H2,1-3H3
InChIKeyQLWCQNISSBREIL-UHFFFAOYSA-N
MW166.30 g/mol
LogP2.32
Rot. Bonds2

About 2-trimethylsilylcyclopenta-1,3-diene-1-carbaldehyde

2-trimethylsilylcyclopenta-1,3-diene-1-carbaldehyde (PubChem CID 15205236) has the molecular formula C9H14OSi and a molecular weight of 166.30 g/mol. Its IUPAC name is 2-trimethylsilylcyclopenta-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name2-trimethylsilylcyclopenta-1,3-diene-1-carbaldehyde
PubChem CID15205236
Molecular FormulaC9H14OSi
Molecular Weight166.30 g/mol
Exact Mass166.08
IUPAC Name2-trimethylsilylcyclopenta-1,3-diene-1-carbaldehyde
SMILESC[Si](C)(C)C1=C(C=O)CC=C1
InChIInChI=1S/C9H14OSi/c1-11(2,3)9-6-4-5-8(9)7-10/h4,6-7H,5H2,1-3H3
InChIKeyQLWCQNISSBREIL-UHFFFAOYSA-N
XLogP2.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.30
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2-formylcyclopenta-1,4-dien-1-yl)boronic acid
CID 59457784
5H-indazole-4-carbaldehyde
CID 175049655
trimethyl-(2-phenylcyclopenta-1,4-dien-1-yl)silane
CID 159054815
acetaldehyde;4-methylcyclohepta-1,3,5-trien-1-amine
CID 143275435
acetaldehyde;cyclohexene
CID 87322239
(6Z)-6-ethylidene-2-methylcyclohexa-1,3-diene
CID 163873761
2-trimethylstannylcyclopentene-1-carbaldehyde
CID 15370367
cyclohex-2-en-1-ylidenemethoxy(trimethyl)silane
CID 71373922
4-pyridin-4-ylcyclohepta-1,3,6-triene-1-carbaldehyde
CID 143193115
N-[(2-ethylcyclopenta-1,3-dien-1-yl)-dimethylsilyl]formamide
CID 22924499
(2-methoxy-3,5-dimethylphenyl)-dimethyl-(2-trimethylsilylcyclopenta-1,3-dien-1-yl)silane
CID 18347709
2-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)ethenone
CID 175138937

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylcyclopenta-1,3-diene-1-carbaldehyde?
The IUPAC name of 2-trimethylsilylcyclopenta-1,3-diene-1-carbaldehyde (CID 15205236) is 2-trimethylsilylcyclopenta-1,3-diene-1-carbaldehyde.
What is the SMILES notation for 2-trimethylsilylcyclopenta-1,3-diene-1-carbaldehyde?
The canonical SMILES for 2-trimethylsilylcyclopenta-1,3-diene-1-carbaldehyde is C[Si](C)(C)C1=C(C=O)CC=C1.
What is the InChIKey of 2-trimethylsilylcyclopenta-1,3-diene-1-carbaldehyde?
The InChIKey is QLWCQNISSBREIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14OSi/c1-11(2,3)9-6-4-5-8(9)7-10/h4,6-7H,5H2,1-3H3.
What are the key properties of 2-trimethylsilylcyclopenta-1,3-diene-1-carbaldehyde?
2-trimethylsilylcyclopenta-1,3-diene-1-carbaldehyde has a molecular weight of 166.30 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylcyclopenta-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 15205236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).