(Z,2R)-2-(2-methylpent-3-yn-2-yl)-2-trimethylsilyloxyhex-4-enal

C15H26O2Si — CID 132532926

IUPAC(Z,2R)-2-(2-methylpent-3-yn-2-yl)-2-trimethylsilyloxyhex-4-enal
SMILESCC#CC(C)(C)[C@@](C=O)(C/C=C\C)O[Si](C)(C)C
InChIInChI=1S/C15H26O2Si/c1-8-10-12-15(13-16,17-18(5,6)7)14(3,4)11-9-2/h8,10,13H,12H2,1-7H3/b10-8-/t15-/m0/s1
InChIKeyNMWPFRADFUYUCB-WWRUEGTHSA-N
MW266.46 g/mol
LogP3.79
Rot. Bonds6

About (Z,2R)-2-(2-methylpent-3-yn-2-yl)-2-trimethylsilyloxyhex-4-enal

(Z,2R)-2-(2-methylpent-3-yn-2-yl)-2-trimethylsilyloxyhex-4-enal (PubChem CID 132532926) has the molecular formula C15H26O2Si and a molecular weight of 266.46 g/mol. Its IUPAC name is (Z,2R)-2-(2-methylpent-3-yn-2-yl)-2-trimethylsilyloxyhex-4-enal.

Molecular Properties

Compound Name(Z,2R)-2-(2-methylpent-3-yn-2-yl)-2-trimethylsilyloxyhex-4-enal
PubChem CID132532926
Molecular FormulaC15H26O2Si
Molecular Weight266.46 g/mol
Exact Mass266.17
IUPAC Name(Z,2R)-2-(2-methylpent-3-yn-2-yl)-2-trimethylsilyloxyhex-4-enal
SMILESCC#CC(C)(C)[C@@](C=O)(C/C=C\C)O[Si](C)(C)C
InChIInChI=1S/C15H26O2Si/c1-8-10-12-15(13-16,17-18(5,6)7)14(3,4)11-9-2/h8,10,13H,12H2,1-7H3/b10-8-/t15-/m0/s1
InChIKeyNMWPFRADFUYUCB-WWRUEGTHSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.46
LogP ≤ 53.79
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 (Z,2R)-2-(2-methylpent-3-yn-2-yl)-2-trimethylsilyloxyhex-4-enal?
The IUPAC name of (Z,2R)-2-(2-methylpent-3-yn-2-yl)-2-trimethylsilyloxyhex-4-enal (CID 132532926) is (Z,2R)-2-(2-methylpent-3-yn-2-yl)-2-trimethylsilyloxyhex-4-enal.
What is the SMILES notation for (Z,2R)-2-(2-methylpent-3-yn-2-yl)-2-trimethylsilyloxyhex-4-enal?
The canonical SMILES for (Z,2R)-2-(2-methylpent-3-yn-2-yl)-2-trimethylsilyloxyhex-4-enal is CC#CC(C)(C)[C@@](C=O)(C/C=C\C)O[Si](C)(C)C.
What is the InChIKey of (Z,2R)-2-(2-methylpent-3-yn-2-yl)-2-trimethylsilyloxyhex-4-enal?
The InChIKey is NMWPFRADFUYUCB-WWRUEGTHSA-N. The full InChI is InChI=1S/C15H26O2Si/c1-8-10-12-15(13-16,17-18(5,6)7)14(3,4)11-9-2/h8,10,13H,12H2,1-7H3/b10-8-/t15-/m0/s1.
What are the key properties of (Z,2R)-2-(2-methylpent-3-yn-2-yl)-2-trimethylsilyloxyhex-4-enal?
(Z,2R)-2-(2-methylpent-3-yn-2-yl)-2-trimethylsilyloxyhex-4-enal has a molecular weight of 266.46 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R)-2-(2-methylpent-3-yn-2-yl)-2-trimethylsilyloxyhex-4-enal is sourced from PubChem (CID 132532926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).