2-[3-[tert-butyl(dimethyl)silyl]oxyhept-6-en-1-ynyl]cyclopentene-1-carbaldehyde

C19H30O2Si — CID 102106172

IUPAC2-[3-[tert-butyl(dimethyl)silyl]oxyhept-6-en-1-ynyl]cyclopentene-1-carbaldehyde
SMILESC=CCCC(C#CC1=C(C=O)CCC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H30O2Si/c1-7-8-12-18(21-22(5,6)19(2,3)4)14-13-16-10-9-11-17(16)15-20/h7,15,18H,1,8-12H2,2-6H3
InChIKeyDFXHFKBTPCQGQE-UHFFFAOYSA-N
MW318.53 g/mol
LogP5.03
Rot. Bonds6

About 2-[3-[tert-butyl(dimethyl)silyl]oxyhept-6-en-1-ynyl]cyclopentene-1-carbaldehyde

2-[3-[tert-butyl(dimethyl)silyl]oxyhept-6-en-1-ynyl]cyclopentene-1-carbaldehyde (PubChem CID 102106172) has the molecular formula C19H30O2Si and a molecular weight of 318.53 g/mol. Its IUPAC name is 2-[3-[tert-butyl(dimethyl)silyl]oxyhept-6-en-1-ynyl]cyclopentene-1-carbaldehyde.

Molecular Properties

Compound Name2-[3-[tert-butyl(dimethyl)silyl]oxyhept-6-en-1-ynyl]cyclopentene-1-carbaldehyde
PubChem CID102106172
Molecular FormulaC19H30O2Si
Molecular Weight318.53 g/mol
Exact Mass318.20
IUPAC Name2-[3-[tert-butyl(dimethyl)silyl]oxyhept-6-en-1-ynyl]cyclopentene-1-carbaldehyde
SMILESC=CCCC(C#CC1=C(C=O)CCC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H30O2Si/c1-7-8-12-18(21-22(5,6)19(2,3)4)14-13-16-10-9-11-17(16)15-20/h7,15,18H,1,8-12H2,2-6H3
InChIKeyDFXHFKBTPCQGQE-UHFFFAOYSA-N
XLogP5.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.53
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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]oxyhept-6-en-1-ynyl]cyclopentene-1-carbaldehyde?
The IUPAC name of 2-[3-[tert-butyl(dimethyl)silyl]oxyhept-6-en-1-ynyl]cyclopentene-1-carbaldehyde (CID 102106172) is 2-[3-[tert-butyl(dimethyl)silyl]oxyhept-6-en-1-ynyl]cyclopentene-1-carbaldehyde.
What is the SMILES notation for 2-[3-[tert-butyl(dimethyl)silyl]oxyhept-6-en-1-ynyl]cyclopentene-1-carbaldehyde?
The canonical SMILES for 2-[3-[tert-butyl(dimethyl)silyl]oxyhept-6-en-1-ynyl]cyclopentene-1-carbaldehyde is C=CCCC(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]oxyhept-6-en-1-ynyl]cyclopentene-1-carbaldehyde?
The InChIKey is DFXHFKBTPCQGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2Si/c1-7-8-12-18(21-22(5,6)19(2,3)4)14-13-16-10-9-11-17(16)15-20/h7,15,18H,1,8-12H2,2-6H3.
What are the key properties of 2-[3-[tert-butyl(dimethyl)silyl]oxyhept-6-en-1-ynyl]cyclopentene-1-carbaldehyde?
2-[3-[tert-butyl(dimethyl)silyl]oxyhept-6-en-1-ynyl]cyclopentene-1-carbaldehyde has a molecular weight of 318.53 g/mol, XLogP of 5.03, 6 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]oxyhept-6-en-1-ynyl]cyclopentene-1-carbaldehyde is sourced from PubChem (CID 102106172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).