cis-(1R,2R)-2-[(1S)-1-tri(propan-2-yl)silyloxybut-3-enyl]cyclopropane-1-carbaldehyde

C17H32O2Si — CID 11162274

IUPACcis-(1R,2R)-2-[(1S)-1-tri(propan-2-yl)silyloxybut-3-enyl]cyclopropane-1-carbaldehyde
SMILESC=CC[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1C[C@H]1C=O
InChIInChI=1S/C17H32O2Si/c1-8-9-17(16-10-15(16)11-18)19-20(12(2)3,13(4)5)14(6)7/h8,11-17H,1,9-10H2,2-7H3/t15-,16+,17-/m0/s1
InChIKeyDXNHGBQSHYRNEW-BBWFWOEESA-N
MW296.53 g/mol
LogP4.96
Rot. Bonds9

About cis-(1R,2R)-2-[(1S)-1-tri(propan-2-yl)silyloxybut-3-enyl]cyclopropane-1-carbaldehyde

cis-(1R,2R)-2-[(1S)-1-tri(propan-2-yl)silyloxybut-3-enyl]cyclopropane-1-carbaldehyde (PubChem CID 11162274) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is cis-(1R,2R)-2-[(1S)-1-tri(propan-2-yl)silyloxybut-3-enyl]cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Namecis-(1R,2R)-2-[(1S)-1-tri(propan-2-yl)silyloxybut-3-enyl]cyclopropane-1-carbaldehyde
PubChem CID11162274
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Namecis-(1R,2R)-2-[(1S)-1-tri(propan-2-yl)silyloxybut-3-enyl]cyclopropane-1-carbaldehyde
SMILESC=CC[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1C[C@H]1C=O
InChIInChI=1S/C17H32O2Si/c1-8-9-17(16-10-15(16)11-18)19-20(12(2)3,13(4)5)14(6)7/h8,11-17H,1,9-10H2,2-7H3/t15-,16+,17-/m0/s1
InChIKeyDXNHGBQSHYRNEW-BBWFWOEESA-N
XLogP4.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.53
LogP ≤ 54.96
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

(2S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-6-enal
CID 24884888
(3R)-3-methyl-5-triethylsilyloxyhept-6-enal
CID 25112422
2-Ethyl-4-trimethylsilyloxyhept-6-enal
CID 57252947
(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-prop-2-enyloct-7-ynal
CID 140189156
5-[Tert-butyl(dimethyl)silyl]oxy-2,2,4,6-tetramethyl-3-oxooct-7-enal
CID 141095036
(2S,3R,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxyoct-7-enal
CID 10599914
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-6-enal
CID 46855278
(Z,2R,4S,5R,6S)-8-iodo-2,4,6-trimethyl-5-triethylsilyloxyoct-7-enal
CID 46872554
(2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-methylideneoct-7-enal
CID 101383745
(2R,3R,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxyoct-7-enal
CID 135705252

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-[(1S)-1-tri(propan-2-yl)silyloxybut-3-enyl]cyclopropane-1-carbaldehyde?
The IUPAC name of cis-(1R,2R)-2-[(1S)-1-tri(propan-2-yl)silyloxybut-3-enyl]cyclopropane-1-carbaldehyde (CID 11162274) is cis-(1R,2R)-2-[(1S)-1-tri(propan-2-yl)silyloxybut-3-enyl]cyclopropane-1-carbaldehyde.
What is the SMILES notation for cis-(1R,2R)-2-[(1S)-1-tri(propan-2-yl)silyloxybut-3-enyl]cyclopropane-1-carbaldehyde?
The canonical SMILES for cis-(1R,2R)-2-[(1S)-1-tri(propan-2-yl)silyloxybut-3-enyl]cyclopropane-1-carbaldehyde is C=CC[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1C[C@H]1C=O.
What is the InChIKey of cis-(1R,2R)-2-[(1S)-1-tri(propan-2-yl)silyloxybut-3-enyl]cyclopropane-1-carbaldehyde?
The InChIKey is DXNHGBQSHYRNEW-BBWFWOEESA-N. The full InChI is InChI=1S/C17H32O2Si/c1-8-9-17(16-10-15(16)11-18)19-20(12(2)3,13(4)5)14(6)7/h8,11-17H,1,9-10H2,2-7H3/t15-,16+,17-/m0/s1.
What are the key properties of cis-(1R,2R)-2-[(1S)-1-tri(propan-2-yl)silyloxybut-3-enyl]cyclopropane-1-carbaldehyde?
cis-(1R,2R)-2-[(1S)-1-tri(propan-2-yl)silyloxybut-3-enyl]cyclopropane-1-carbaldehyde has a molecular weight of 296.53 g/mol, XLogP of 4.96, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-[(1S)-1-tri(propan-2-yl)silyloxybut-3-enyl]cyclopropane-1-carbaldehyde is sourced from PubChem (CID 11162274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).