11-trimethylsilylundeca-2,4-dien-8,10-diynoic acid

C14H18O2Si — CID 173038300

IUPAC11-trimethylsilylundeca-2,4-dien-8,10-diynoic acid
SMILESC[Si](C)(C)C#CC#CCCC=CC=CC(=O)O
InChIInChI=1S/C14H18O2Si/c1-17(2,3)13-11-9-7-5-4-6-8-10-12-14(15)16/h6,8,10,12H,4-5H2,1-3H3,(H,15,16)
InChIKeyYMIOELVDCSDOIC-UHFFFAOYSA-N
MW246.38 g/mol
LogP2.85
Rot. Bonds4

About 11-trimethylsilylundeca-2,4-dien-8,10-diynoic acid

11-trimethylsilylundeca-2,4-dien-8,10-diynoic acid (PubChem CID 173038300) has the molecular formula C14H18O2Si and a molecular weight of 246.38 g/mol. Its IUPAC name is 11-trimethylsilylundeca-2,4-dien-8,10-diynoic acid.

Molecular Properties

Compound Name11-trimethylsilylundeca-2,4-dien-8,10-diynoic acid
PubChem CID173038300
Molecular FormulaC14H18O2Si
Molecular Weight246.38 g/mol
Exact Mass246.11
IUPAC Name11-trimethylsilylundeca-2,4-dien-8,10-diynoic acid
SMILESC[Si](C)(C)C#CC#CCCC=CC=CC(=O)O
InChIInChI=1S/C14H18O2Si/c1-17(2,3)13-11-9-7-5-4-6-8-10-12-14(15)16/h6,8,10,12H,4-5H2,1-3H3,(H,15,16)
InChIKeyYMIOELVDCSDOIC-UHFFFAOYSA-N
XLogP2.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dodeca-2,4-dien-8,10-diynoic acid
CID 91310253
methyl (E)-9-trimethylsilylnon-2-en-6,8-diynoate;(E)-non-2-en-6,8-diynoic acid
CID 160947135
(2E,4E)-N-(2-methylpropyl)undeca-2,4-dien-8,10-diynamide;(2E,4E)-undeca-2,4-dien-8,10-diynoic acid
CID 160813359
10-trimethylsilyldeca-5,7,9-triynoic acid
CID 154494507
(2E,4E,8Z)-deca-2,4,8-trienoic acid
CID 87961054
docosa-2,4,6,8-tetraen-18-ynoic acid
CID 141041074
N-(2-methylpropyl)dodeca-2,4-dien-8,10-diynamide
CID 71337744
(2Z,4E)-deca-2,4-dienoic acid
CID 5282780
pentadeca-2,4-dienoic acid
CID 54493784
triaconta-2,4-dienoic acid
CID 54201076
(2E,4E)-icosa-2,4-dienoic acid
CID 11483665
(2E,4E)-tetracosa-2,4-dienoic acid
CID 19784025

Frequently Asked Questions

What is the IUPAC name of 11-trimethylsilylundeca-2,4-dien-8,10-diynoic acid?
The IUPAC name of 11-trimethylsilylundeca-2,4-dien-8,10-diynoic acid (CID 173038300) is 11-trimethylsilylundeca-2,4-dien-8,10-diynoic acid.
What is the SMILES notation for 11-trimethylsilylundeca-2,4-dien-8,10-diynoic acid?
The canonical SMILES for 11-trimethylsilylundeca-2,4-dien-8,10-diynoic acid is C[Si](C)(C)C#CC#CCCC=CC=CC(=O)O.
What is the InChIKey of 11-trimethylsilylundeca-2,4-dien-8,10-diynoic acid?
The InChIKey is YMIOELVDCSDOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2Si/c1-17(2,3)13-11-9-7-5-4-6-8-10-12-14(15)16/h6,8,10,12H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 11-trimethylsilylundeca-2,4-dien-8,10-diynoic acid?
11-trimethylsilylundeca-2,4-dien-8,10-diynoic acid has a molecular weight of 246.38 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-trimethylsilylundeca-2,4-dien-8,10-diynoic acid is sourced from PubChem (CID 173038300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).