triethyl(4-phenylhepta-1,6-dien-2-yloxy)silane

C19H30OSi — CID 86212793

IUPACtriethyl(4-phenylhepta-1,6-dien-2-yloxy)silane
SMILESC=CCC(CC(=C)O[Si](CC)(CC)CC)c1ccccc1
InChIInChI=1S/C19H30OSi/c1-6-13-19(18-14-11-10-12-15-18)16-17(5)20-21(7-2,8-3)9-4/h6,10-12,14-15,19H,1,5,7-9,13,16H2,2-4H3
InChIKeyQFJMOSXKZZLXDN-UHFFFAOYSA-N
MW302.53 g/mol
LogP6.27
Rot. Bonds10

About triethyl(4-phenylhepta-1,6-dien-2-yloxy)silane

triethyl(4-phenylhepta-1,6-dien-2-yloxy)silane (PubChem CID 86212793) has the molecular formula C19H30OSi and a molecular weight of 302.53 g/mol. Its IUPAC name is triethyl(4-phenylhepta-1,6-dien-2-yloxy)silane.

Molecular Properties

Compound Nametriethyl(4-phenylhepta-1,6-dien-2-yloxy)silane
PubChem CID86212793
Molecular FormulaC19H30OSi
Molecular Weight302.53 g/mol
Exact Mass302.21
IUPAC Nametriethyl(4-phenylhepta-1,6-dien-2-yloxy)silane
SMILESC=CCC(CC(=C)O[Si](CC)(CC)CC)c1ccccc1
InChIInChI=1S/C19H30OSi/c1-6-13-19(18-14-11-10-12-15-18)16-17(5)20-21(7-2,8-3)9-4/h6,10-12,14-15,19H,1,5,7-9,13,16H2,2-4H3
InChIKeyQFJMOSXKZZLXDN-UHFFFAOYSA-N
XLogP6.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.53
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-phenylhex-5-enoate
CID 11481375
(3S)-1,3-diphenylhex-5-en-1-one
CID 11288162
oct-1-en-4-ylbenzene
CID 22247233
(3R)-3-phenylhex-5-en-1-ol
CID 10419714
triethylsilyl (E)-2-methylidene-3-phenylhex-4-enoate
CID 10313706
5-phenoxy-3-phenylhex-5-enal
CID 101106031
(3S)-3-phenylhex-5-enal
CID 11229081
hepta-1,6-dien-4-ylbenzene;phthalic acid
CID 66933649
4-phenyl-1-trimethylsilylhept-6-en-1-one
CID 102315107
(5R)-7-phenyldec-9-en-5-ol
CID 134965025
methyl 2-(3-phenylhex-5-enoylsulfanyl)benzoate
CID 10854653
3-phenylhexa-1,5-dien-2-ol
CID 173444348

Frequently Asked Questions

What is the IUPAC name of triethyl(4-phenylhepta-1,6-dien-2-yloxy)silane?
The IUPAC name of triethyl(4-phenylhepta-1,6-dien-2-yloxy)silane (CID 86212793) is triethyl(4-phenylhepta-1,6-dien-2-yloxy)silane.
What is the SMILES notation for triethyl(4-phenylhepta-1,6-dien-2-yloxy)silane?
The canonical SMILES for triethyl(4-phenylhepta-1,6-dien-2-yloxy)silane is C=CCC(CC(=C)O[Si](CC)(CC)CC)c1ccccc1.
What is the InChIKey of triethyl(4-phenylhepta-1,6-dien-2-yloxy)silane?
The InChIKey is QFJMOSXKZZLXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30OSi/c1-6-13-19(18-14-11-10-12-15-18)16-17(5)20-21(7-2,8-3)9-4/h6,10-12,14-15,19H,1,5,7-9,13,16H2,2-4H3.
What are the key properties of triethyl(4-phenylhepta-1,6-dien-2-yloxy)silane?
triethyl(4-phenylhepta-1,6-dien-2-yloxy)silane has a molecular weight of 302.53 g/mol, XLogP of 6.27, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(4-phenylhepta-1,6-dien-2-yloxy)silane is sourced from PubChem (CID 86212793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).