(E)-3-phenylmethoxy-5-trimethylsilylpent-3-enal

C15H22O2Si — CID 15262996

IUPAC(E)-3-phenylmethoxy-5-trimethylsilylpent-3-enal
SMILESC[Si](C)(C)C/C=C(\CC=O)OCc1ccccc1
InChIInChI=1S/C15H22O2Si/c1-18(2,3)12-10-15(9-11-16)17-13-14-7-5-4-6-8-14/h4-8,10-11H,9,12-13H2,1-3H3/b15-10+
InChIKeyPNZKXQPCNPKKBH-XNTDXEJSSA-N
MW262.43 g/mol
LogP4.01
Rot. Bonds7

About (E)-3-phenylmethoxy-5-trimethylsilylpent-3-enal

(E)-3-phenylmethoxy-5-trimethylsilylpent-3-enal (PubChem CID 15262996) has the molecular formula C15H22O2Si and a molecular weight of 262.43 g/mol. Its IUPAC name is (E)-3-phenylmethoxy-5-trimethylsilylpent-3-enal.

Molecular Properties

Compound Name(E)-3-phenylmethoxy-5-trimethylsilylpent-3-enal
PubChem CID15262996
Molecular FormulaC15H22O2Si
Molecular Weight262.43 g/mol
Exact Mass262.14
IUPAC Name(E)-3-phenylmethoxy-5-trimethylsilylpent-3-enal
SMILESC[Si](C)(C)C/C=C(\CC=O)OCc1ccccc1
InChIInChI=1S/C15H22O2Si/c1-18(2,3)12-10-15(9-11-16)17-13-14-7-5-4-6-8-14/h4-8,10-11H,9,12-13H2,1-3H3/b15-10+
InChIKeyPNZKXQPCNPKKBH-XNTDXEJSSA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.43
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(E)-3-phenylmethoxypent-2-enal
CID 10821515
(Z)-2-phenylmethoxybut-2-enal
CID 155092165
lithium phenylmethoxycarbonyl-bis(trimethylsilyl)silanide
CID 177424968
benzyl 2,2-dimethyl-5-oxopentanoate
CID 86616388
benzyl acetate
CID 8785
benzyl N-(3-oxo-1-phenylpropylidene)carbamate
CID 90784447
benzyl propanoate;hydrochloride
CID 140986165
benzyl (Z)-4-fluoropent-3-enoate
CID 102299153
benzyl 2-triphenylsilylacetate
CID 134956777
3-phenylmethoxybut-2-en-2-yloxymethylbenzene
CID 86006666
benzyl 2-formylpentanoate
CID 173416593
benzyl 2-trimethylsilylprop-2-enoate
CID 14946722

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenylmethoxy-5-trimethylsilylpent-3-enal?
The IUPAC name of (E)-3-phenylmethoxy-5-trimethylsilylpent-3-enal (CID 15262996) is (E)-3-phenylmethoxy-5-trimethylsilylpent-3-enal.
What is the SMILES notation for (E)-3-phenylmethoxy-5-trimethylsilylpent-3-enal?
The canonical SMILES for (E)-3-phenylmethoxy-5-trimethylsilylpent-3-enal is C[Si](C)(C)C/C=C(\CC=O)OCc1ccccc1.
What is the InChIKey of (E)-3-phenylmethoxy-5-trimethylsilylpent-3-enal?
The InChIKey is PNZKXQPCNPKKBH-XNTDXEJSSA-N. The full InChI is InChI=1S/C15H22O2Si/c1-18(2,3)12-10-15(9-11-16)17-13-14-7-5-4-6-8-14/h4-8,10-11H,9,12-13H2,1-3H3/b15-10+.
What are the key properties of (E)-3-phenylmethoxy-5-trimethylsilylpent-3-enal?
(E)-3-phenylmethoxy-5-trimethylsilylpent-3-enal has a molecular weight of 262.43 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenylmethoxy-5-trimethylsilylpent-3-enal is sourced from PubChem (CID 15262996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).