(5Z)-5-[(2E,6E)-7-trimethylsilylhepta-2,6-dien-4-ynylidene]furan-2-one

C14H16O2Si — CID 11817411

IUPAC(5Z)-5-[(2E,6E)-7-trimethylsilylhepta-2,6-dien-4-ynylidene]furan-2-one
SMILESC[Si](C)(C)/C=C/C#C/C=C/C=C1/C=CC(=O)O1
InChIInChI=1S/C14H16O2Si/c1-17(2,3)12-8-6-4-5-7-9-13-10-11-14(15)16-13/h5,7-12H,1-3H3/b7-5+,12-8+,13-9-
InChIKeyQKWIBYYCNDFHMK-ADYOKBENSA-N
MW244.37 g/mol
LogP2.98
Rot. Bonds2

About (5Z)-5-[(2E,6E)-7-trimethylsilylhepta-2,6-dien-4-ynylidene]furan-2-one

(5Z)-5-[(2E,6E)-7-trimethylsilylhepta-2,6-dien-4-ynylidene]furan-2-one (PubChem CID 11817411) has the molecular formula C14H16O2Si and a molecular weight of 244.37 g/mol. Its IUPAC name is (5Z)-5-[(2E,6E)-7-trimethylsilylhepta-2,6-dien-4-ynylidene]furan-2-one.

Molecular Properties

Compound Name(5Z)-5-[(2E,6E)-7-trimethylsilylhepta-2,6-dien-4-ynylidene]furan-2-one
PubChem CID11817411
Molecular FormulaC14H16O2Si
Molecular Weight244.37 g/mol
Exact Mass244.09
IUPAC Name(5Z)-5-[(2E,6E)-7-trimethylsilylhepta-2,6-dien-4-ynylidene]furan-2-one
SMILESC[Si](C)(C)/C=C/C#C/C=C/C=C1/C=CC(=O)O1
InChIInChI=1S/C14H16O2Si/c1-17(2,3)12-8-6-4-5-7-9-13-10-11-14(15)16-13/h5,7-12H,1-3H3/b7-5+,12-8+,13-9-
InChIKeyQKWIBYYCNDFHMK-ADYOKBENSA-N
XLogP2.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5Z)-5-[(2E,6E)-7-trimethylsilylhepta-2,6-dien-4-ynylidene]furan-2-one with MolForge

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Related Compounds

Matricaria lactone
CID 6277481
2(5H)-Furanone,4-hexadiynylidene)-
CID 5380631
(4Z)-Lachnophyllum Lactone
CID 5380634
(5E)-5-[(Z)-oct-6-en-2,4-diynylidene]furan-2-one
CID 6475136
Dihydroxerulin
CID 131569
Xerulin
CID 131570
2,4-Decadiene-6-yn-4-olide
CID 265582
(5Z)-5-[(2E,4E,6E)-tetradeca-2,4,6-trien-8,10-diynylidene]furan-2-one
CID 6439344
(5Z)-5-[(2E,4E,6E,12E)-tetradeca-2,4,6,12-tetraen-8,10-diynylidene]furan-2-one
CID 6439345
2(5H)-Furanone, 5-(4-hexen-2-ynylidene)-
CID 90896
5-Hexa-2,4-diynylidenefuran-2-one
CID 265579
(5E)-5-[(Z)-hex-4-en-2-ynylidene]furan-2-one
CID 92467539

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2E,6E)-7-trimethylsilylhepta-2,6-dien-4-ynylidene]furan-2-one?
The IUPAC name of (5Z)-5-[(2E,6E)-7-trimethylsilylhepta-2,6-dien-4-ynylidene]furan-2-one (CID 11817411) is (5Z)-5-[(2E,6E)-7-trimethylsilylhepta-2,6-dien-4-ynylidene]furan-2-one.
What is the SMILES notation for (5Z)-5-[(2E,6E)-7-trimethylsilylhepta-2,6-dien-4-ynylidene]furan-2-one?
The canonical SMILES for (5Z)-5-[(2E,6E)-7-trimethylsilylhepta-2,6-dien-4-ynylidene]furan-2-one is C[Si](C)(C)/C=C/C#C/C=C/C=C1/C=CC(=O)O1.
What is the InChIKey of (5Z)-5-[(2E,6E)-7-trimethylsilylhepta-2,6-dien-4-ynylidene]furan-2-one?
The InChIKey is QKWIBYYCNDFHMK-ADYOKBENSA-N. The full InChI is InChI=1S/C14H16O2Si/c1-17(2,3)12-8-6-4-5-7-9-13-10-11-14(15)16-13/h5,7-12H,1-3H3/b7-5+,12-8+,13-9-.
What are the key properties of (5Z)-5-[(2E,6E)-7-trimethylsilylhepta-2,6-dien-4-ynylidene]furan-2-one?
(5Z)-5-[(2E,6E)-7-trimethylsilylhepta-2,6-dien-4-ynylidene]furan-2-one has a molecular weight of 244.37 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2E,6E)-7-trimethylsilylhepta-2,6-dien-4-ynylidene]furan-2-one is sourced from PubChem (CID 11817411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).