(Z)-2-triphenylstannylhept-2-enal

C25H26OSn — CID 10600078

IUPAC(Z)-2-triphenylstannylhept-2-enal
SMILESCCCC/C=C(/C=O)[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C7H11O.3C6H5.Sn/c1-2-3-4-5-6-7-8;3*1-2-4-6-5-3-1;/h5,7H,2-4H2,1H3;3*1-5H;
InChIKeySFEVRGGRCWXRQA-UHFFFAOYSA-N
MW461.19 g/mol
LogP4.01
Rot. Bonds8

About (Z)-2-triphenylstannylhept-2-enal

(Z)-2-triphenylstannylhept-2-enal (PubChem CID 10600078) has the molecular formula C25H26OSn and a molecular weight of 461.19 g/mol. Its IUPAC name is (Z)-2-triphenylstannylhept-2-enal.

Molecular Properties

Compound Name(Z)-2-triphenylstannylhept-2-enal
PubChem CID10600078
Molecular FormulaC25H26OSn
Molecular Weight461.19 g/mol
Exact Mass462.10
IUPAC Name(Z)-2-triphenylstannylhept-2-enal
SMILESCCCC/C=C(/C=O)[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C7H11O.3C6H5.Sn/c1-2-3-4-5-6-7-8;3*1-2-4-6-5-3-1;/h5,7H,2-4H2,1H3;3*1-5H;
InChIKeySFEVRGGRCWXRQA-UHFFFAOYSA-N
XLogP4.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.19
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-benzyloct-2-enal
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[(Z)-1-(4-methylphenyl)sulfinylhept-1-enyl]-triphenylstannane
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oxido-oxo-(1-phenylhex-1-enyl)phosphanium
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[(Z)-hept-2-en-2-yl]sulfanylbenzene
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2-phenylhex-2-enal
CID 3023641
(E)-4-butyl-1-phenylnon-4-en-1-one
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[(E)-dec-5-en-5-yl]selanylbenzene
CID 12741495
[(E)-non-4-en-4-yl]sulfanylbenzene
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[(Z)-1-nitrohex-1-enyl]sulfanylbenzene
CID 14006135
2-fluoro-1-phenyloct-2-en-1-one
CID 71437932
(Z)-2-phenyl-3-tributylgermylprop-2-enal
CID 11132524

Frequently Asked Questions

What is the IUPAC name of (Z)-2-triphenylstannylhept-2-enal?
The IUPAC name of (Z)-2-triphenylstannylhept-2-enal (CID 10600078) is (Z)-2-triphenylstannylhept-2-enal.
What is the SMILES notation for (Z)-2-triphenylstannylhept-2-enal?
The canonical SMILES for (Z)-2-triphenylstannylhept-2-enal is CCCC/C=C(/C=O)[Sn](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-2-triphenylstannylhept-2-enal?
The InChIKey is SFEVRGGRCWXRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11O.3C6H5.Sn/c1-2-3-4-5-6-7-8;3*1-2-4-6-5-3-1;/h5,7H,2-4H2,1H3;3*1-5H;.
What are the key properties of (Z)-2-triphenylstannylhept-2-enal?
(Z)-2-triphenylstannylhept-2-enal has a molecular weight of 461.19 g/mol, XLogP of 4.01, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-triphenylstannylhept-2-enal is sourced from PubChem (CID 10600078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).