3-hydroxy-2-methylidene-5-phenyl-1-tributylsilylpent-4-en-1-one

C24H38O2Si — CID 139609799

IUPAC3-hydroxy-2-methylidene-5-phenyl-1-tributylsilylpent-4-en-1-one
SMILESC=C(C(=O)[Si](CCCC)(CCCC)CCCC)C(O)C=Cc1ccccc1
InChIInChI=1S/C24H38O2Si/c1-5-8-18-27(19-9-6-2,20-10-7-3)24(26)21(4)23(25)17-16-22-14-12-11-13-15-22/h11-17,23,25H,4-10,18-20H2,1-3H3
InChIKeySXMVNOHXDFOOBV-UHFFFAOYSA-N
MW386.65 g/mol
LogP6.57
Rot. Bonds14

About 3-hydroxy-2-methylidene-5-phenyl-1-tributylsilylpent-4-en-1-one

3-hydroxy-2-methylidene-5-phenyl-1-tributylsilylpent-4-en-1-one (PubChem CID 139609799) has the molecular formula C24H38O2Si and a molecular weight of 386.65 g/mol. Its IUPAC name is 3-hydroxy-2-methylidene-5-phenyl-1-tributylsilylpent-4-en-1-one.

Molecular Properties

Compound Name3-hydroxy-2-methylidene-5-phenyl-1-tributylsilylpent-4-en-1-one
PubChem CID139609799
Molecular FormulaC24H38O2Si
Molecular Weight386.65 g/mol
Exact Mass386.26
IUPAC Name3-hydroxy-2-methylidene-5-phenyl-1-tributylsilylpent-4-en-1-one
SMILESC=C(C(=O)[Si](CCCC)(CCCC)CCCC)C(O)C=Cc1ccccc1
InChIInChI=1S/C24H38O2Si/c1-5-8-18-27(19-9-6-2,20-10-7-3)24(26)21(4)23(25)17-16-22-14-12-11-13-15-22/h11-17,23,25H,4-10,18-20H2,1-3H3
InChIKeySXMVNOHXDFOOBV-UHFFFAOYSA-N
XLogP6.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.65
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-2-methylidene-7-phenyl-1-tributylsilylhept-4-en-1-one
CID 139609808
methyl 3-hydroxy-2-methylidene-5-phenylpent-4-enoate
CID 71340290
2-methylidene-3-(2-phenylethenyl)heptanoic acid
CID 54501886
ethyl (Z)-2-hydroxy-4-phenylbut-3-enoate
CID 102348217
2-[(E)-1-hydroxy-3-phenylprop-2-enyl]octanoic acid
CID 146374482
(E)-4-chloro-3-hydroxy-1-phenylnon-1-en-5-one
CID 11242590
(E)-4,4-dichloro-3-hydroxy-1-phenyldec-1-en-5-one
CID 10380966
(E,4S)-4-hydroxy-1-phenyloct-1-en-3-one
CID 100976642
(E,4R,5S)-5-hydroxy-4-methyl-7-phenylhept-6-en-3-one
CID 12031058
ethyl (E)-4-hydroxy-2-methylidene-6-phenylhex-5-enoate
CID 10752945
1-(1,3-dihydroxy-5-phenylpent-4-en-2-yl)-3-hexylurea
CID 142667053
(E)-5-methoxy-4-methylidene-7-phenylhept-6-en-3-one
CID 101059452

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methylidene-5-phenyl-1-tributylsilylpent-4-en-1-one?
The IUPAC name of 3-hydroxy-2-methylidene-5-phenyl-1-tributylsilylpent-4-en-1-one (CID 139609799) is 3-hydroxy-2-methylidene-5-phenyl-1-tributylsilylpent-4-en-1-one.
What is the SMILES notation for 3-hydroxy-2-methylidene-5-phenyl-1-tributylsilylpent-4-en-1-one?
The canonical SMILES for 3-hydroxy-2-methylidene-5-phenyl-1-tributylsilylpent-4-en-1-one is C=C(C(=O)[Si](CCCC)(CCCC)CCCC)C(O)C=Cc1ccccc1.
What is the InChIKey of 3-hydroxy-2-methylidene-5-phenyl-1-tributylsilylpent-4-en-1-one?
The InChIKey is SXMVNOHXDFOOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O2Si/c1-5-8-18-27(19-9-6-2,20-10-7-3)24(26)21(4)23(25)17-16-22-14-12-11-13-15-22/h11-17,23,25H,4-10,18-20H2,1-3H3.
What are the key properties of 3-hydroxy-2-methylidene-5-phenyl-1-tributylsilylpent-4-en-1-one?
3-hydroxy-2-methylidene-5-phenyl-1-tributylsilylpent-4-en-1-one has a molecular weight of 386.65 g/mol, XLogP of 6.57, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methylidene-5-phenyl-1-tributylsilylpent-4-en-1-one is sourced from PubChem (CID 139609799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).