2-[3-[tert-butyl(dimethyl)silyl]oxyoct-7-en-1-ynyl]cyclopentene-1-carbaldehyde

C20H32O2Si — CID 135023330

IUPAC2-[3-[tert-butyl(dimethyl)silyl]oxyoct-7-en-1-ynyl]cyclopentene-1-carbaldehyde
SMILESC=CCCCC(C#CC1=C(C=O)CCC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H32O2Si/c1-7-8-9-13-19(22-23(5,6)20(2,3)4)15-14-17-11-10-12-18(17)16-21/h7,16,19H,1,8-13H2,2-6H3
InChIKeyOQFCWAANCOYYPK-UHFFFAOYSA-N
MW332.56 g/mol
LogP5.42
Rot. Bonds7

About 2-[3-[tert-butyl(dimethyl)silyl]oxyoct-7-en-1-ynyl]cyclopentene-1-carbaldehyde

2-[3-[tert-butyl(dimethyl)silyl]oxyoct-7-en-1-ynyl]cyclopentene-1-carbaldehyde (PubChem CID 135023330) has the molecular formula C20H32O2Si and a molecular weight of 332.56 g/mol. Its IUPAC name is 2-[3-[tert-butyl(dimethyl)silyl]oxyoct-7-en-1-ynyl]cyclopentene-1-carbaldehyde.

Molecular Properties

Compound Name2-[3-[tert-butyl(dimethyl)silyl]oxyoct-7-en-1-ynyl]cyclopentene-1-carbaldehyde
PubChem CID135023330
Molecular FormulaC20H32O2Si
Molecular Weight332.56 g/mol
Exact Mass332.22
IUPAC Name2-[3-[tert-butyl(dimethyl)silyl]oxyoct-7-en-1-ynyl]cyclopentene-1-carbaldehyde
SMILESC=CCCCC(C#CC1=C(C=O)CCC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H32O2Si/c1-7-8-9-13-19(22-23(5,6)20(2,3)4)15-14-17-11-10-12-18(17)16-21/h7,16,19H,1,8-13H2,2-6H3
InChIKeyOQFCWAANCOYYPK-UHFFFAOYSA-N
XLogP5.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.56
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[tert-butyl(dimethyl)silyl]oxyoct-7-en-1-ynyl]cyclopentene-1-carbaldehyde?
The IUPAC name of 2-[3-[tert-butyl(dimethyl)silyl]oxyoct-7-en-1-ynyl]cyclopentene-1-carbaldehyde (CID 135023330) is 2-[3-[tert-butyl(dimethyl)silyl]oxyoct-7-en-1-ynyl]cyclopentene-1-carbaldehyde.
What is the SMILES notation for 2-[3-[tert-butyl(dimethyl)silyl]oxyoct-7-en-1-ynyl]cyclopentene-1-carbaldehyde?
The canonical SMILES for 2-[3-[tert-butyl(dimethyl)silyl]oxyoct-7-en-1-ynyl]cyclopentene-1-carbaldehyde is C=CCCCC(C#CC1=C(C=O)CCC1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[3-[tert-butyl(dimethyl)silyl]oxyoct-7-en-1-ynyl]cyclopentene-1-carbaldehyde?
The InChIKey is OQFCWAANCOYYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O2Si/c1-7-8-9-13-19(22-23(5,6)20(2,3)4)15-14-17-11-10-12-18(17)16-21/h7,16,19H,1,8-13H2,2-6H3.
What are the key properties of 2-[3-[tert-butyl(dimethyl)silyl]oxyoct-7-en-1-ynyl]cyclopentene-1-carbaldehyde?
2-[3-[tert-butyl(dimethyl)silyl]oxyoct-7-en-1-ynyl]cyclopentene-1-carbaldehyde has a molecular weight of 332.56 g/mol, XLogP of 5.42, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[tert-butyl(dimethyl)silyl]oxyoct-7-en-1-ynyl]cyclopentene-1-carbaldehyde is sourced from PubChem (CID 135023330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).