(3E)-1-phenyl-3-(trimethylsilylmethylidene)octane-1,4-diol

C18H30O2Si — CID 135020768

IUPAC(3E)-1-phenyl-3-(trimethylsilylmethylidene)octane-1,4-diol
SMILESCCCCC(O)/C(=C/[Si](C)(C)C)CC(O)c1ccccc1
InChIInChI=1S/C18H30O2Si/c1-5-6-12-17(19)16(14-21(2,3)4)13-18(20)15-10-8-7-9-11-15/h7-11,14,17-20H,5-6,12-13H2,1-4H3/b16-14+
InChIKeyADCQAYBOUPSDHZ-JQIJEIRASA-N
MW306.52 g/mol
LogP4.47
Rot. Bonds8

About (3E)-1-phenyl-3-(trimethylsilylmethylidene)octane-1,4-diol

(3E)-1-phenyl-3-(trimethylsilylmethylidene)octane-1,4-diol (PubChem CID 135020768) has the molecular formula C18H30O2Si and a molecular weight of 306.52 g/mol. Its IUPAC name is (3E)-1-phenyl-3-(trimethylsilylmethylidene)octane-1,4-diol.

Molecular Properties

Compound Name(3E)-1-phenyl-3-(trimethylsilylmethylidene)octane-1,4-diol
PubChem CID135020768
Molecular FormulaC18H30O2Si
Molecular Weight306.52 g/mol
Exact Mass306.20
IUPAC Name(3E)-1-phenyl-3-(trimethylsilylmethylidene)octane-1,4-diol
SMILESCCCCC(O)/C(=C/[Si](C)(C)C)CC(O)c1ccccc1
InChIInChI=1S/C18H30O2Si/c1-5-6-12-17(19)16(14-21(2,3)4)13-18(20)15-10-8-7-9-11-15/h7-11,14,17-20H,5-6,12-13H2,1-4H3/b16-14+
InChIKeyADCQAYBOUPSDHZ-JQIJEIRASA-N
XLogP4.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-phenylpentan-1-ol
CID 6992754
(1R)-1-phenyloctan-1-ol
CID 12794259
phenylmethanol;1-phenylpentan-1-ol
CID 160862998
(2R)-2-phenylheptan-3-ol
CID 91322845
(1R,5S)-1-phenyldecane-1,5-diol
CID 10879541
(3Z,4R)-3-benzylidene-2-methyloctan-4-ol
CID 177483438
3-methylidene-1-phenylnonan-1-ol
CID 102449396
5-methyl-1-phenylhexan-1-ol
CID 10997859
1,1-diphenylheptan-3-ol
CID 132530442
dihydroxy(oxo)phosphanium;1-phenylundecan-1-ol
CID 69241764
(E,4S)-4-hydroxy-1-phenyloct-1-en-3-one
CID 100976642
(1S,2R)-2-deuterio-1-phenylpropan-1-ol
CID 175690859

Frequently Asked Questions

What is the IUPAC name of (3E)-1-phenyl-3-(trimethylsilylmethylidene)octane-1,4-diol?
The IUPAC name of (3E)-1-phenyl-3-(trimethylsilylmethylidene)octane-1,4-diol (CID 135020768) is (3E)-1-phenyl-3-(trimethylsilylmethylidene)octane-1,4-diol.
What is the SMILES notation for (3E)-1-phenyl-3-(trimethylsilylmethylidene)octane-1,4-diol?
The canonical SMILES for (3E)-1-phenyl-3-(trimethylsilylmethylidene)octane-1,4-diol is CCCCC(O)/C(=C/[Si](C)(C)C)CC(O)c1ccccc1.
What is the InChIKey of (3E)-1-phenyl-3-(trimethylsilylmethylidene)octane-1,4-diol?
The InChIKey is ADCQAYBOUPSDHZ-JQIJEIRASA-N. The full InChI is InChI=1S/C18H30O2Si/c1-5-6-12-17(19)16(14-21(2,3)4)13-18(20)15-10-8-7-9-11-15/h7-11,14,17-20H,5-6,12-13H2,1-4H3/b16-14+.
What are the key properties of (3E)-1-phenyl-3-(trimethylsilylmethylidene)octane-1,4-diol?
(3E)-1-phenyl-3-(trimethylsilylmethylidene)octane-1,4-diol has a molecular weight of 306.52 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-phenyl-3-(trimethylsilylmethylidene)octane-1,4-diol is sourced from PubChem (CID 135020768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).