(Z)-2-phenyl-3-tributylgermylprop-2-enal

C21H34GeO — CID 11132524

IUPAC(Z)-2-phenyl-3-tributylgermylprop-2-enal
SMILESCCCC[Ge](/C=C(\C=O)c1ccccc1)(CCCC)CCCC
InChIInChI=1S/C21H34GeO/c1-4-7-15-22(16-8-5-2,17-9-6-3)18-21(19-23)20-13-11-10-12-14-20/h10-14,18-19H,4-9,15-17H2,1-3H3/b21-18+
InChIKeyTXEJFCHNUBTIPA-DYTRJAOYSA-N
MW375.11 g/mol
LogP6.66
Rot. Bonds12

About (Z)-2-phenyl-3-tributylgermylprop-2-enal

(Z)-2-phenyl-3-tributylgermylprop-2-enal (PubChem CID 11132524) has the molecular formula C21H34GeO and a molecular weight of 375.11 g/mol. Its IUPAC name is (Z)-2-phenyl-3-tributylgermylprop-2-enal.

Molecular Properties

Compound Name(Z)-2-phenyl-3-tributylgermylprop-2-enal
PubChem CID11132524
Molecular FormulaC21H34GeO
Molecular Weight375.11 g/mol
Exact Mass376.18
IUPAC Name(Z)-2-phenyl-3-tributylgermylprop-2-enal
SMILESCCCC[Ge](/C=C(\C=O)c1ccccc1)(CCCC)CCCC
InChIInChI=1S/C21H34GeO/c1-4-7-15-22(16-8-5-2,17-9-6-3)18-21(19-23)20-13-11-10-12-14-20/h10-14,18-19H,4-9,15-17H2,1-3H3/b21-18+
InChIKeyTXEJFCHNUBTIPA-DYTRJAOYSA-N
XLogP6.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.11
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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3-chloro-2-phenylprop-2-enal
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(E)-2-benzyloct-2-enal
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CID 11064715
(E)-3-(2-ethoxyphenyl)-2-phenylprop-2-enal
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[(E)-hept-2-en-3-yl]benzene
CID 14568345
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Frequently Asked Questions

What is the IUPAC name of (Z)-2-phenyl-3-tributylgermylprop-2-enal?
The IUPAC name of (Z)-2-phenyl-3-tributylgermylprop-2-enal (CID 11132524) is (Z)-2-phenyl-3-tributylgermylprop-2-enal.
What is the SMILES notation for (Z)-2-phenyl-3-tributylgermylprop-2-enal?
The canonical SMILES for (Z)-2-phenyl-3-tributylgermylprop-2-enal is CCCC[Ge](/C=C(\C=O)c1ccccc1)(CCCC)CCCC.
What is the InChIKey of (Z)-2-phenyl-3-tributylgermylprop-2-enal?
The InChIKey is TXEJFCHNUBTIPA-DYTRJAOYSA-N. The full InChI is InChI=1S/C21H34GeO/c1-4-7-15-22(16-8-5-2,17-9-6-3)18-21(19-23)20-13-11-10-12-14-20/h10-14,18-19H,4-9,15-17H2,1-3H3/b21-18+.
What are the key properties of (Z)-2-phenyl-3-tributylgermylprop-2-enal?
(Z)-2-phenyl-3-tributylgermylprop-2-enal has a molecular weight of 375.11 g/mol, XLogP of 6.66, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-phenyl-3-tributylgermylprop-2-enal is sourced from PubChem (CID 11132524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).