(3-tert-butyl-5-methylhexa-3,4-dien-1-ynyl)-trimethylsilane

Name: (3-tert-butyl-5-methylhexa-3,4-dien-1-ynyl)-trimethylsilane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₂₄Si — CID 135072814

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(3-tert-butyl-5-methylhexa-3,4-dien-1-ynyl)-trimethylsilane

SMILESCC(C)=C=C(C#C[Si](C)(C)C)C(C)(C)C

InChIInChI=1S/C14H24Si/c1-12(2)11-13(14(3,4)5)9-10-15(6,7)8/h1-8H3

InChIKeyAVZGZHUPGWHQLO-UHFFFAOYSA-N

MW220.43 g/mol

LogP4.40

Rot. Bonds

About (3-tert-butyl-5-methylhexa-3,4-dien-1-ynyl)-trimethylsilane

(3-tert-butyl-5-methylhexa-3,4-dien-1-ynyl)-trimethylsilane (PubChem CID 135072814) has the molecular formula C₁₄H₂₄Si and a molecular weight of 220.43 g/mol. Its IUPAC name is (3-tert-butyl-5-methylhexa-3,4-dien-1-ynyl)-trimethylsilane.

Molecular Properties

Compound Name	(3-tert-butyl-5-methylhexa-3,4-dien-1-ynyl)-trimethylsilane
PubChem CID	135072814
Molecular Formula	C₁₄H₂₄Si
Molecular Weight	220.43 g/mol
Exact Mass	220.16
IUPAC Name	(3-tert-butyl-5-methylhexa-3,4-dien-1-ynyl)-trimethylsilane
SMILES	CC(C)=C=C(C#C[Si](C)(C)C)C(C)(C)C
InChI	InChI=1S/C14H24Si/c1-12(2)11-13(14(3,4)5)9-10-15(6,7)8/h1-8H3
InChIKey	AVZGZHUPGWHQLO-UHFFFAOYSA-N
XLogP	4.40
TPSA	0.00 Å²
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms	15
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	220.43
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-5-methylhexa-3,4-dien-1-ynyl)-trimethylsilane?

The IUPAC name of (3-tert-butyl-5-methylhexa-3,4-dien-1-ynyl)-trimethylsilane (CID 135072814) is (3-tert-butyl-5-methylhexa-3,4-dien-1-ynyl)-trimethylsilane.

What is the SMILES notation for (3-tert-butyl-5-methylhexa-3,4-dien-1-ynyl)-trimethylsilane?

The canonical SMILES for (3-tert-butyl-5-methylhexa-3,4-dien-1-ynyl)-trimethylsilane is CC(C)=C=C(C#C[Si](C)(C)C)C(C)(C)C.

What is the InChIKey of (3-tert-butyl-5-methylhexa-3,4-dien-1-ynyl)-trimethylsilane?

The InChIKey is AVZGZHUPGWHQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24Si/c1-12(2)11-13(14(3,4)5)9-10-15(6,7)8/h1-8H3.

What are the key properties of (3-tert-butyl-5-methylhexa-3,4-dien-1-ynyl)-trimethylsilane?

(3-tert-butyl-5-methylhexa-3,4-dien-1-ynyl)-trimethylsilane has a molecular weight of 220.43 g/mol, XLogP of 4.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (3-tert-butyl-5-methylhexa-3,4-dien-1-ynyl)-trimethylsilane is sourced from PubChem (CID 135072814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 135072814 — identifiers, structure, computed properties (public domain)

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