(2E,6E)-4,4,7-trimethyl-11-trimethylsilylundeca-2,6-dien-10-ynal

C17H28OSi — CID 101008485

IUPAC(2E,6E)-4,4,7-trimethyl-11-trimethylsilylundeca-2,6-dien-10-ynal
SMILESC/C(=C\CC(C)(C)/C=C/C=O)CCC#C[Si](C)(C)C
InChIInChI=1S/C17H28OSi/c1-16(10-7-8-15-19(4,5)6)11-13-17(2,3)12-9-14-18/h9,11-12,14H,7,10,13H2,1-6H3/b12-9+,16-11+
InChIKeyNLFMNRZWIXTTAQ-WBJPGKSWSA-N
MW276.50 g/mol
LogP4.77
Rot. Bonds6

About (2E,6E)-4,4,7-trimethyl-11-trimethylsilylundeca-2,6-dien-10-ynal

(2E,6E)-4,4,7-trimethyl-11-trimethylsilylundeca-2,6-dien-10-ynal (PubChem CID 101008485) has the molecular formula C17H28OSi and a molecular weight of 276.50 g/mol. Its IUPAC name is (2E,6E)-4,4,7-trimethyl-11-trimethylsilylundeca-2,6-dien-10-ynal.

Molecular Properties

Compound Name(2E,6E)-4,4,7-trimethyl-11-trimethylsilylundeca-2,6-dien-10-ynal
PubChem CID101008485
Molecular FormulaC17H28OSi
Molecular Weight276.50 g/mol
Exact Mass276.19
IUPAC Name(2E,6E)-4,4,7-trimethyl-11-trimethylsilylundeca-2,6-dien-10-ynal
SMILESC/C(=C\CC(C)(C)/C=C/C=O)CCC#C[Si](C)(C)C
InChIInChI=1S/C17H28OSi/c1-16(10-7-8-15-19(4,5)6)11-13-17(2,3)12-9-14-18/h9,11-12,14H,7,10,13H2,1-6H3/b12-9+,16-11+
InChIKeyNLFMNRZWIXTTAQ-WBJPGKSWSA-N
XLogP4.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.50
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,6E)-4,4,7-trimethyl-11-trimethylsilylundeca-2,6-dien-10-ynal?
The IUPAC name of (2E,6E)-4,4,7-trimethyl-11-trimethylsilylundeca-2,6-dien-10-ynal (CID 101008485) is (2E,6E)-4,4,7-trimethyl-11-trimethylsilylundeca-2,6-dien-10-ynal.
What is the SMILES notation for (2E,6E)-4,4,7-trimethyl-11-trimethylsilylundeca-2,6-dien-10-ynal?
The canonical SMILES for (2E,6E)-4,4,7-trimethyl-11-trimethylsilylundeca-2,6-dien-10-ynal is C/C(=C\CC(C)(C)/C=C/C=O)CCC#C[Si](C)(C)C.
What is the InChIKey of (2E,6E)-4,4,7-trimethyl-11-trimethylsilylundeca-2,6-dien-10-ynal?
The InChIKey is NLFMNRZWIXTTAQ-WBJPGKSWSA-N. The full InChI is InChI=1S/C17H28OSi/c1-16(10-7-8-15-19(4,5)6)11-13-17(2,3)12-9-14-18/h9,11-12,14H,7,10,13H2,1-6H3/b12-9+,16-11+.
What are the key properties of (2E,6E)-4,4,7-trimethyl-11-trimethylsilylundeca-2,6-dien-10-ynal?
(2E,6E)-4,4,7-trimethyl-11-trimethylsilylundeca-2,6-dien-10-ynal has a molecular weight of 276.50 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-4,4,7-trimethyl-11-trimethylsilylundeca-2,6-dien-10-ynal is sourced from PubChem (CID 101008485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).