1-phenyl-2-trimethylsilylhepta-2,3-dien-1-ol

C16H24OSi — CID 13211418

IUPAC1-phenyl-2-trimethylsilylhepta-2,3-dien-1-ol
SMILESCCCC=C=C(C(O)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C16H24OSi/c1-5-6-8-13-15(18(2,3)4)16(17)14-11-9-7-10-12-14/h7-12,16-17H,5-6H2,1-4H3
InChIKeyCAIIGNFIJUATOW-UHFFFAOYSA-N
MW260.45 g/mol
LogP4.48
Rot. Bonds5

About 1-phenyl-2-trimethylsilylhepta-2,3-dien-1-ol

1-phenyl-2-trimethylsilylhepta-2,3-dien-1-ol (PubChem CID 13211418) has the molecular formula C16H24OSi and a molecular weight of 260.45 g/mol. Its IUPAC name is 1-phenyl-2-trimethylsilylhepta-2,3-dien-1-ol.

Molecular Properties

Compound Name1-phenyl-2-trimethylsilylhepta-2,3-dien-1-ol
PubChem CID13211418
Molecular FormulaC16H24OSi
Molecular Weight260.45 g/mol
Exact Mass260.16
IUPAC Name1-phenyl-2-trimethylsilylhepta-2,3-dien-1-ol
SMILESCCCC=C=C(C(O)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C16H24OSi/c1-5-6-8-13-15(18(2,3)4)16(17)14-11-9-7-10-12-14/h7-12,16-17H,5-6H2,1-4H3
InChIKeyCAIIGNFIJUATOW-UHFFFAOYSA-N
XLogP4.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R,5S)-5,6-dimethyl-1-phenyl-2-trimethylsilylhepta-2,3-diene-1,6-diol
CID 177483276
1-phenyl-2-trimethylsilylbuta-2,3-dien-1-ol
CID 12653266
1-phenylhepta-2,3-dien-1-ol
CID 101070006
2-ethyl-1-naphthalen-1-ylhepta-2,3-dien-1-ol
CID 134982909
[[hydroxy(phenyl)methyl]-dimethylsilyl]-phenylmethanol
CID 150347911
(Z)-2-[(S)-hydroxy(phenyl)methyl]-3-trimethylsilylprop-2-enoic acid
CID 11242155
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
(Z)-6,6-dimethoxy-1-phenyl-2-trimethylsilylhex-2-en-1-ol
CID 10968864
2,5-bis[tert-butyl(dimethyl)silyl]-5-deuterio-1-phenylpenta-2,3,4-trien-1-ol
CID 102172162
ethyl (2R)-2-methyl-5-phenyl-3-trimethylsilylpenta-3,4-dienoate
CID 164685697
(Z,4E)-2-hexyl-4-[iodo(trimethylsilyl)methylidene]-1-phenyldec-2-en-1-ol
CID 177406293
sodium;ethyl 2-hydroxy-2-phenylacetate;hydride
CID 175364908

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-trimethylsilylhepta-2,3-dien-1-ol?
The IUPAC name of 1-phenyl-2-trimethylsilylhepta-2,3-dien-1-ol (CID 13211418) is 1-phenyl-2-trimethylsilylhepta-2,3-dien-1-ol.
What is the SMILES notation for 1-phenyl-2-trimethylsilylhepta-2,3-dien-1-ol?
The canonical SMILES for 1-phenyl-2-trimethylsilylhepta-2,3-dien-1-ol is CCCC=C=C(C(O)c1ccccc1)[Si](C)(C)C.
What is the InChIKey of 1-phenyl-2-trimethylsilylhepta-2,3-dien-1-ol?
The InChIKey is CAIIGNFIJUATOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24OSi/c1-5-6-8-13-15(18(2,3)4)16(17)14-11-9-7-10-12-14/h7-12,16-17H,5-6H2,1-4H3.
What are the key properties of 1-phenyl-2-trimethylsilylhepta-2,3-dien-1-ol?
1-phenyl-2-trimethylsilylhepta-2,3-dien-1-ol has a molecular weight of 260.45 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-trimethylsilylhepta-2,3-dien-1-ol is sourced from PubChem (CID 13211418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).