(1R,4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]cyclobut-2-ene-1-carbaldehyde

C14H26O2Si — CID 134964705

IUPAC(1R,4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]cyclobut-2-ene-1-carbaldehyde
SMILESCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C=C[C@H]1C=O
InChIInChI=1S/C14H26O2Si/c1-7-13(12-9-8-11(12)10-15)16-17(5,6)14(2,3)4/h8-13H,7H2,1-6H3/t11-,12-,13+/m0/s1
InChIKeyVICPLOBZNRKQPV-RWMBFGLXSA-N
MW254.45 g/mol
LogP3.79
Rot. Bonds5

About (1R,4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]cyclobut-2-ene-1-carbaldehyde

(1R,4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]cyclobut-2-ene-1-carbaldehyde (PubChem CID 134964705) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is (1R,4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]cyclobut-2-ene-1-carbaldehyde.

Molecular Properties

Compound Name(1R,4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]cyclobut-2-ene-1-carbaldehyde
PubChem CID134964705
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name(1R,4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]cyclobut-2-ene-1-carbaldehyde
SMILESCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C=C[C@H]1C=O
InChIInChI=1S/C14H26O2Si/c1-7-13(12-9-8-11(12)10-15)16-17(5,6)14(2,3)4/h8-13H,7H2,1-6H3/t11-,12-,13+/m0/s1
InChIKeyVICPLOBZNRKQPV-RWMBFGLXSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
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'}

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Related Compounds

(Z)-4-[tert-butyl(dimethyl)silyl]oxydodec-6-enal
CID 14409373
2-[(1r,5r,6s)-6-(t-Butyldimethylsilyloxy-methyl)-5-methylcyclohex-3-en-1-yl]ethanal
CID 129746583
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanal
CID 134930661
6-[[Tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde
CID 14851371
(1R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde
CID 14851372
(1R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde
CID 14851373
(1S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde
CID 54477410
2-Methyl-4-trimethylsilyloxyhept-6-enal
CID 57055099
2-Ethyl-4-trimethylsilyloxyhept-6-enal
CID 57252947
(1S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde
CID 88454682
(E,3S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclohexyl-3,5-dimethylhept-6-enal
CID 89291388
4-Methyl-4-triethylsilyloxyhept-6-enal
CID 152417025

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]cyclobut-2-ene-1-carbaldehyde?
The IUPAC name of (1R,4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]cyclobut-2-ene-1-carbaldehyde (CID 134964705) is (1R,4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]cyclobut-2-ene-1-carbaldehyde.
What is the SMILES notation for (1R,4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]cyclobut-2-ene-1-carbaldehyde?
The canonical SMILES for (1R,4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]cyclobut-2-ene-1-carbaldehyde is CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C=C[C@H]1C=O.
What is the InChIKey of (1R,4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]cyclobut-2-ene-1-carbaldehyde?
The InChIKey is VICPLOBZNRKQPV-RWMBFGLXSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-7-13(12-9-8-11(12)10-15)16-17(5,6)14(2,3)4/h8-13H,7H2,1-6H3/t11-,12-,13+/m0/s1.
What are the key properties of (1R,4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]cyclobut-2-ene-1-carbaldehyde?
(1R,4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]cyclobut-2-ene-1-carbaldehyde has a molecular weight of 254.45 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]cyclobut-2-ene-1-carbaldehyde is sourced from PubChem (CID 134964705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).