(3E,6S)-6-triethylsilyloxyocta-3,7-dien-2-one

C14H26O2Si — CID 56946991

IUPAC(3E,6S)-6-triethylsilyloxyocta-3,7-dien-2-one
SMILESC=C[C@H](C/C=C/C(C)=O)O[Si](CC)(CC)CC
InChIInChI=1S/C14H26O2Si/c1-6-14(12-10-11-13(5)15)16-17(7-2,8-3)9-4/h6,10-11,14H,1,7-9,12H2,2-5H3/b11-10+/t14-/m1/s1
InChIKeyDTFMTZTYHDQYGA-PLSXKVAHSA-N
MW254.45 g/mol
LogP4.10
Rot. Bonds9

About (3E,6S)-6-triethylsilyloxyocta-3,7-dien-2-one

(3E,6S)-6-triethylsilyloxyocta-3,7-dien-2-one (PubChem CID 56946991) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is (3E,6S)-6-triethylsilyloxyocta-3,7-dien-2-one.

Molecular Properties

Compound Name(3E,6S)-6-triethylsilyloxyocta-3,7-dien-2-one
PubChem CID56946991
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name(3E,6S)-6-triethylsilyloxyocta-3,7-dien-2-one
SMILESC=C[C@H](C/C=C/C(C)=O)O[Si](CC)(CC)CC
InChIInChI=1S/C14H26O2Si/c1-6-14(12-10-11-13(5)15)16-17(7-2,8-3)9-4/h6,10-11,14H,1,7-9,12H2,2-5H3/b11-10+/t14-/m1/s1
InChIKeyDTFMTZTYHDQYGA-PLSXKVAHSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

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Frequently Asked Questions

What is the IUPAC name of (3E,6S)-6-triethylsilyloxyocta-3,7-dien-2-one?
The IUPAC name of (3E,6S)-6-triethylsilyloxyocta-3,7-dien-2-one (CID 56946991) is (3E,6S)-6-triethylsilyloxyocta-3,7-dien-2-one.
What is the SMILES notation for (3E,6S)-6-triethylsilyloxyocta-3,7-dien-2-one?
The canonical SMILES for (3E,6S)-6-triethylsilyloxyocta-3,7-dien-2-one is C=C[C@H](C/C=C/C(C)=O)O[Si](CC)(CC)CC.
What is the InChIKey of (3E,6S)-6-triethylsilyloxyocta-3,7-dien-2-one?
The InChIKey is DTFMTZTYHDQYGA-PLSXKVAHSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-6-14(12-10-11-13(5)15)16-17(7-2,8-3)9-4/h6,10-11,14H,1,7-9,12H2,2-5H3/b11-10+/t14-/m1/s1.
What are the key properties of (3E,6S)-6-triethylsilyloxyocta-3,7-dien-2-one?
(3E,6S)-6-triethylsilyloxyocta-3,7-dien-2-one has a molecular weight of 254.45 g/mol, XLogP of 4.10, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6S)-6-triethylsilyloxyocta-3,7-dien-2-one is sourced from PubChem (CID 56946991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).