ethyl (2E,6E)-9-hydroxy-4,4,7-trimethyl-11-trimethylsilylundeca-2,6-dien-10-ynoate

C19H32O3Si — CID 11209905

IUPACethyl (2E,6E)-9-hydroxy-4,4,7-trimethyl-11-trimethylsilylundeca-2,6-dien-10-ynoate
SMILESCCOC(=O)/C=C/C(C)(C)C/C=C(\C)CC(O)C#C[Si](C)(C)C
InChIInChI=1S/C19H32O3Si/c1-8-22-18(21)10-13-19(3,4)12-9-16(2)15-17(20)11-14-23(5,6)7/h9-10,13,17,20H,8,12,15H2,1-7H3/b13-10+,16-9+
InChIKeyVGPXUUPPZNPPFK-HHRAEFMESA-N
MW336.55 g/mol
LogP4.10
Rot. Bonds7

About ethyl (2E,6E)-9-hydroxy-4,4,7-trimethyl-11-trimethylsilylundeca-2,6-dien-10-ynoate

ethyl (2E,6E)-9-hydroxy-4,4,7-trimethyl-11-trimethylsilylundeca-2,6-dien-10-ynoate (PubChem CID 11209905) has the molecular formula C19H32O3Si and a molecular weight of 336.55 g/mol. Its IUPAC name is ethyl (2E,6E)-9-hydroxy-4,4,7-trimethyl-11-trimethylsilylundeca-2,6-dien-10-ynoate.

Molecular Properties

Compound Nameethyl (2E,6E)-9-hydroxy-4,4,7-trimethyl-11-trimethylsilylundeca-2,6-dien-10-ynoate
PubChem CID11209905
Molecular FormulaC19H32O3Si
Molecular Weight336.55 g/mol
Exact Mass336.21
IUPAC Nameethyl (2E,6E)-9-hydroxy-4,4,7-trimethyl-11-trimethylsilylundeca-2,6-dien-10-ynoate
SMILESCCOC(=O)/C=C/C(C)(C)C/C=C(\C)CC(O)C#C[Si](C)(C)C
InChIInChI=1S/C19H32O3Si/c1-8-22-18(21)10-13-19(3,4)12-9-16(2)15-17(20)11-14-23(5,6)7/h9-10,13,17,20H,8,12,15H2,1-7H3/b13-10+,16-9+
InChIKeyVGPXUUPPZNPPFK-HHRAEFMESA-N
XLogP4.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.55
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl (2E,6E)-9-hydroxy-4,4,7-trimethyl-11-trimethylsilylundeca-2,6-dien-10-ynoate with MolForge

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Related Compounds

ethyl 11-bromo-4,4,7-trimethyldodeca-2,6,10-trienoate
CID 139909044
ethyl 5-hydroxy-4,4-dimethylpent-2-enoate
CID 54252815
ethyl 4-amino-4-methylpent-2-enoate
CID 175544882
ethyl (E)-3-[(1R,2S)-2-(1-hydroxy-3-trimethylsilylprop-2-ynyl)cyclopropyl]but-2-enoate
CID 102171919
diethyl (E)-(1,2,3,4-13C4)but-2-enedioate
CID 11298268
methyl (2E,6E)-4,4-dimethyl-8-oxonona-2,6-dienoate
CID 121014281
ethyl 4,4,5,5-tetrafluoropent-2-enoate
CID 123355611
ethyl 4-[(2-ethoxy-2-hydroxyethyl)amino]-4-methylpent-2-enoate
CID 175544898
ethyl (2E,4Z)-7-hydroxy-5-methylnona-2,4,8-trienoate
CID 131886050
(Z)-1,5-bis(trimethylsilyl)hept-5-en-1-yn-3-ol
CID 15867171
ethyl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate
CID 54234690
(Z)-1,5-bis(trimethylsilyl)dec-5-en-1-yn-3-ol
CID 134931746

Frequently Asked Questions

What is the IUPAC name of ethyl (2E,6E)-9-hydroxy-4,4,7-trimethyl-11-trimethylsilylundeca-2,6-dien-10-ynoate?
The IUPAC name of ethyl (2E,6E)-9-hydroxy-4,4,7-trimethyl-11-trimethylsilylundeca-2,6-dien-10-ynoate (CID 11209905) is ethyl (2E,6E)-9-hydroxy-4,4,7-trimethyl-11-trimethylsilylundeca-2,6-dien-10-ynoate.
What is the SMILES notation for ethyl (2E,6E)-9-hydroxy-4,4,7-trimethyl-11-trimethylsilylundeca-2,6-dien-10-ynoate?
The canonical SMILES for ethyl (2E,6E)-9-hydroxy-4,4,7-trimethyl-11-trimethylsilylundeca-2,6-dien-10-ynoate is CCOC(=O)/C=C/C(C)(C)C/C=C(\C)CC(O)C#C[Si](C)(C)C.
What is the InChIKey of ethyl (2E,6E)-9-hydroxy-4,4,7-trimethyl-11-trimethylsilylundeca-2,6-dien-10-ynoate?
The InChIKey is VGPXUUPPZNPPFK-HHRAEFMESA-N. The full InChI is InChI=1S/C19H32O3Si/c1-8-22-18(21)10-13-19(3,4)12-9-16(2)15-17(20)11-14-23(5,6)7/h9-10,13,17,20H,8,12,15H2,1-7H3/b13-10+,16-9+.
What are the key properties of ethyl (2E,6E)-9-hydroxy-4,4,7-trimethyl-11-trimethylsilylundeca-2,6-dien-10-ynoate?
ethyl (2E,6E)-9-hydroxy-4,4,7-trimethyl-11-trimethylsilylundeca-2,6-dien-10-ynoate has a molecular weight of 336.55 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E,6E)-9-hydroxy-4,4,7-trimethyl-11-trimethylsilylundeca-2,6-dien-10-ynoate is sourced from PubChem (CID 11209905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).