(3R,4R)-3-[dimethyl(phenyl)silyl]-4-formylhept-6-en-1-olate

C16H23O2Si- — CID 100971033

IUPAC(3R,4R)-3-[dimethyl(phenyl)silyl]-4-formylhept-6-en-1-olate
SMILESC=CC[C@H](C=O)[C@@H](CC[O-])[Si](C)(C)c1ccccc1
InChIInChI=1S/C16H23O2Si/c1-4-8-14(13-18)16(11-12-17)19(2,3)15-9-6-5-7-10-15/h4-7,9-10,13-14,16H,1,8,11-12H2,2-3H3/q-1/t14-,16-/m1/s1
InChIKeyCRAQNRILTRPSLJ-GDBMZVCRSA-N
MW275.44 g/mol
LogP2.11
Rot. Bonds8

About (3R,4R)-3-[dimethyl(phenyl)silyl]-4-formylhept-6-en-1-olate

(3R,4R)-3-[dimethyl(phenyl)silyl]-4-formylhept-6-en-1-olate (PubChem CID 100971033) has the molecular formula C16H23O2Si- and a molecular weight of 275.44 g/mol. Its IUPAC name is (3R,4R)-3-[dimethyl(phenyl)silyl]-4-formylhept-6-en-1-olate.

Molecular Properties

Compound Name(3R,4R)-3-[dimethyl(phenyl)silyl]-4-formylhept-6-en-1-olate
PubChem CID100971033
Molecular FormulaC16H23O2Si-
Molecular Weight275.44 g/mol
Exact Mass275.15
IUPAC Name(3R,4R)-3-[dimethyl(phenyl)silyl]-4-formylhept-6-en-1-olate
SMILESC=CC[C@H](C=O)[C@@H](CC[O-])[Si](C)(C)c1ccccc1
InChIInChI=1S/C16H23O2Si/c1-4-8-14(13-18)16(11-12-17)19(2,3)15-9-6-5-7-10-15/h4-7,9-10,13-14,16H,1,8,11-12H2,2-3H3/q-1/t14-,16-/m1/s1
InChIKeyCRAQNRILTRPSLJ-GDBMZVCRSA-N
XLogP2.11
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.11
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

dimethyl-[(2S)-pent-4-en-2-yl]-phenylsilane
CID 134970098
(2S,3R)-3-[dimethyl(phenyl)silyl]-5-methyl-2-phenylsulfanylhexanal
CID 10428371
3-[dimethyl(phenyl)silyl]-3-trimethylsilylpropanal
CID 102292717
2-(2-nitro-1-phenylethyl)pent-4-enal
CID 74425865
[(2R)-but-3-en-2-yl]-dimethyl-phenylsilane
CID 134947847
1,4,4-tris[dimethyl(phenyl)silyl]butan-1-ol
CID 10766972
(2S)-2-[dimethyl(phenyl)silyl]but-3-en-1-ol
CID 134955377
trimethylsilyl (2R)-2-[(1S)-1-[dimethyl(phenyl)silyl]-2-methylpropyl]pent-4-enoate
CID 11302957
(2R)-2-propan-2-ylpent-4-enal
CID 44521428
diethyl 2-[(1R,2S)-1-[dimethyl(phenyl)silyl]-2-formylbutyl]propanedioate
CID 52920552
2-[(E)-2-phenylethenyl]pent-4-enal
CID 12714689
dimethyl-penta-1,4-dienyl-phenylsilane
CID 69411193

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-[dimethyl(phenyl)silyl]-4-formylhept-6-en-1-olate?
The IUPAC name of (3R,4R)-3-[dimethyl(phenyl)silyl]-4-formylhept-6-en-1-olate (CID 100971033) is (3R,4R)-3-[dimethyl(phenyl)silyl]-4-formylhept-6-en-1-olate.
What is the SMILES notation for (3R,4R)-3-[dimethyl(phenyl)silyl]-4-formylhept-6-en-1-olate?
The canonical SMILES for (3R,4R)-3-[dimethyl(phenyl)silyl]-4-formylhept-6-en-1-olate is C=CC[C@H](C=O)[C@@H](CC[O-])[Si](C)(C)c1ccccc1.
What is the InChIKey of (3R,4R)-3-[dimethyl(phenyl)silyl]-4-formylhept-6-en-1-olate?
The InChIKey is CRAQNRILTRPSLJ-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H23O2Si/c1-4-8-14(13-18)16(11-12-17)19(2,3)15-9-6-5-7-10-15/h4-7,9-10,13-14,16H,1,8,11-12H2,2-3H3/q-1/t14-,16-/m1/s1.
What are the key properties of (3R,4R)-3-[dimethyl(phenyl)silyl]-4-formylhept-6-en-1-olate?
(3R,4R)-3-[dimethyl(phenyl)silyl]-4-formylhept-6-en-1-olate has a molecular weight of 275.44 g/mol, XLogP of 2.11, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-[dimethyl(phenyl)silyl]-4-formylhept-6-en-1-olate is sourced from PubChem (CID 100971033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).