[(E)-4-methylidene-6-tri(propan-2-yl)silylhex-2-en-5-ynyl] acetate

C18H30O2Si — CID 102434978

IUPAC[(E)-4-methylidene-6-tri(propan-2-yl)silylhex-2-en-5-ynyl] acetate
SMILESC=C(C#C[Si](C(C)C)(C(C)C)C(C)C)/C=C/COC(C)=O
InChIInChI=1S/C18H30O2Si/c1-14(2)21(15(3)4,16(5)6)13-11-17(7)10-9-12-20-18(8)19/h9-10,14-16H,7,12H2,1-6,8H3/b10-9+
InChIKeyQZMLTANZLRDPGU-MDZDMXLPSA-N
MW306.52 g/mol
LogP4.88
Rot. Bonds6

About [(E)-4-methylidene-6-tri(propan-2-yl)silylhex-2-en-5-ynyl] acetate

[(E)-4-methylidene-6-tri(propan-2-yl)silylhex-2-en-5-ynyl] acetate (PubChem CID 102434978) has the molecular formula C18H30O2Si and a molecular weight of 306.52 g/mol. Its IUPAC name is [(E)-4-methylidene-6-tri(propan-2-yl)silylhex-2-en-5-ynyl] acetate.

Molecular Properties

Compound Name[(E)-4-methylidene-6-tri(propan-2-yl)silylhex-2-en-5-ynyl] acetate
PubChem CID102434978
Molecular FormulaC18H30O2Si
Molecular Weight306.52 g/mol
Exact Mass306.20
IUPAC Name[(E)-4-methylidene-6-tri(propan-2-yl)silylhex-2-en-5-ynyl] acetate
SMILESC=C(C#C[Si](C(C)C)(C(C)C)C(C)C)/C=C/COC(C)=O
InChIInChI=1S/C18H30O2Si/c1-14(2)21(15(3)4,16(5)6)13-11-17(7)10-9-12-20-18(8)19/h9-10,14-16H,7,12H2,1-6,8H3/b10-9+
InChIKeyQZMLTANZLRDPGU-MDZDMXLPSA-N
XLogP4.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-4-methylidene-6-tri(propan-2-yl)silylhex-2-en-5-ynyl] acetate?
The IUPAC name of [(E)-4-methylidene-6-tri(propan-2-yl)silylhex-2-en-5-ynyl] acetate (CID 102434978) is [(E)-4-methylidene-6-tri(propan-2-yl)silylhex-2-en-5-ynyl] acetate.
What is the SMILES notation for [(E)-4-methylidene-6-tri(propan-2-yl)silylhex-2-en-5-ynyl] acetate?
The canonical SMILES for [(E)-4-methylidene-6-tri(propan-2-yl)silylhex-2-en-5-ynyl] acetate is C=C(C#C[Si](C(C)C)(C(C)C)C(C)C)/C=C/COC(C)=O.
What is the InChIKey of [(E)-4-methylidene-6-tri(propan-2-yl)silylhex-2-en-5-ynyl] acetate?
The InChIKey is QZMLTANZLRDPGU-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H30O2Si/c1-14(2)21(15(3)4,16(5)6)13-11-17(7)10-9-12-20-18(8)19/h9-10,14-16H,7,12H2,1-6,8H3/b10-9+.
What are the key properties of [(E)-4-methylidene-6-tri(propan-2-yl)silylhex-2-en-5-ynyl] acetate?
[(E)-4-methylidene-6-tri(propan-2-yl)silylhex-2-en-5-ynyl] acetate has a molecular weight of 306.52 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-methylidene-6-tri(propan-2-yl)silylhex-2-en-5-ynyl] acetate is sourced from PubChem (CID 102434978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).