hydroxy-[2-(3-methylidenehept-1-ynyl)phenyl]-diphenylsilane

C26H26OSi — CID 154710644

IUPAChydroxy-[2-(3-methylidenehept-1-ynyl)phenyl]-diphenylsilane
SMILESC=C(C#Cc1ccccc1[Si](O)(c1ccccc1)c1ccccc1)CCCC
InChIInChI=1S/C26H26OSi/c1-3-4-13-22(2)20-21-23-14-11-12-19-26(23)28(27,24-15-7-5-8-16-24)25-17-9-6-10-18-25/h5-12,14-19,27H,2-4,13H2,1H3
InChIKeyJPRHBLWDOCDAAV-UHFFFAOYSA-N
MW382.58 g/mol
LogP3.74
Rot. Bonds6

About hydroxy-[2-(3-methylidenehept-1-ynyl)phenyl]-diphenylsilane

hydroxy-[2-(3-methylidenehept-1-ynyl)phenyl]-diphenylsilane (PubChem CID 154710644) has the molecular formula C26H26OSi and a molecular weight of 382.58 g/mol. Its IUPAC name is hydroxy-[2-(3-methylidenehept-1-ynyl)phenyl]-diphenylsilane.

Molecular Properties

Compound Namehydroxy-[2-(3-methylidenehept-1-ynyl)phenyl]-diphenylsilane
PubChem CID154710644
Molecular FormulaC26H26OSi
Molecular Weight382.58 g/mol
Exact Mass382.18
IUPAC Namehydroxy-[2-(3-methylidenehept-1-ynyl)phenyl]-diphenylsilane
SMILESC=C(C#Cc1ccccc1[Si](O)(c1ccccc1)c1ccccc1)CCCC
InChIInChI=1S/C26H26OSi/c1-3-4-13-22(2)20-21-23-14-11-12-19-26(23)28(27,24-15-7-5-8-16-24)25-17-9-6-10-18-25/h5-12,14-19,27H,2-4,13H2,1H3
InChIKeyJPRHBLWDOCDAAV-UHFFFAOYSA-N
XLogP3.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.58
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2-hex-1-ynylphenyl)-trimethylsilane
CID 139650960
1-(2-methylphenyl)hept-1-yn-3-one
CID 102368811
dec-1-en-5-yn-2-yl-dimethyl-phenylsilane
CID 86003298
tert-butyl-hex-1-en-2-yl-diphenylsilane
CID 10314087
[(Z)-3-butyl-4-(2-phenylethynyl)oct-3-en-1-ynyl]benzene
CID 10925864
[(E)-hept-2-en-3-yl]benzene
CID 14568345
butyl-dihydroxy-phenylsilane
CID 23312649
2-methylidenehexanoic acid;prop-2-enylbenzene
CID 67727241
hydroxy(triphenyl)silane
CID 139058622
ethane;1-phenylpentan-1-one
CID 143728184
(2E)-2-benzylidenehexanoic acid
CID 5354388
oct-1-en-3-yn-2-ylbenzene
CID 86242377

Frequently Asked Questions

What is the IUPAC name of hydroxy-[2-(3-methylidenehept-1-ynyl)phenyl]-diphenylsilane?
The IUPAC name of hydroxy-[2-(3-methylidenehept-1-ynyl)phenyl]-diphenylsilane (CID 154710644) is hydroxy-[2-(3-methylidenehept-1-ynyl)phenyl]-diphenylsilane.
What is the SMILES notation for hydroxy-[2-(3-methylidenehept-1-ynyl)phenyl]-diphenylsilane?
The canonical SMILES for hydroxy-[2-(3-methylidenehept-1-ynyl)phenyl]-diphenylsilane is C=C(C#Cc1ccccc1[Si](O)(c1ccccc1)c1ccccc1)CCCC.
What is the InChIKey of hydroxy-[2-(3-methylidenehept-1-ynyl)phenyl]-diphenylsilane?
The InChIKey is JPRHBLWDOCDAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26OSi/c1-3-4-13-22(2)20-21-23-14-11-12-19-26(23)28(27,24-15-7-5-8-16-24)25-17-9-6-10-18-25/h5-12,14-19,27H,2-4,13H2,1H3.
What are the key properties of hydroxy-[2-(3-methylidenehept-1-ynyl)phenyl]-diphenylsilane?
hydroxy-[2-(3-methylidenehept-1-ynyl)phenyl]-diphenylsilane has a molecular weight of 382.58 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[2-(3-methylidenehept-1-ynyl)phenyl]-diphenylsilane is sourced from PubChem (CID 154710644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).