[6-tert-butyl-4,4-bis(methoxymethyl)nona-6,7-dien-1-ynyl]-trimethylsilane

C20H36O2Si — CID 135011635

IUPAC[6-tert-butyl-4,4-bis(methoxymethyl)nona-6,7-dien-1-ynyl]-trimethylsilane
SMILESCC=C=C(CC(CC#C[Si](C)(C)C)(COC)COC)C(C)(C)C
InChIInChI=1S/C20H36O2Si/c1-10-12-18(19(2,3)4)15-20(16-21-5,17-22-6)13-11-14-23(7,8)9/h10H,13,15-17H2,1-9H3
InChIKeyGHEFRVVPESWUTI-UHFFFAOYSA-N
MW336.59 g/mol
LogP5.07
Rot. Bonds7

About [6-tert-butyl-4,4-bis(methoxymethyl)nona-6,7-dien-1-ynyl]-trimethylsilane

[6-tert-butyl-4,4-bis(methoxymethyl)nona-6,7-dien-1-ynyl]-trimethylsilane (PubChem CID 135011635) has the molecular formula C20H36O2Si and a molecular weight of 336.59 g/mol. Its IUPAC name is [6-tert-butyl-4,4-bis(methoxymethyl)nona-6,7-dien-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[6-tert-butyl-4,4-bis(methoxymethyl)nona-6,7-dien-1-ynyl]-trimethylsilane
PubChem CID135011635
Molecular FormulaC20H36O2Si
Molecular Weight336.59 g/mol
Exact Mass336.25
IUPAC Name[6-tert-butyl-4,4-bis(methoxymethyl)nona-6,7-dien-1-ynyl]-trimethylsilane
SMILESCC=C=C(CC(CC#C[Si](C)(C)C)(COC)COC)C(C)(C)C
InChIInChI=1S/C20H36O2Si/c1-10-12-18(19(2,3)4)15-20(16-21-5,17-22-6)13-11-14-23(7,8)9/h10H,13,15-17H2,1-9H3
InChIKeyGHEFRVVPESWUTI-UHFFFAOYSA-N
XLogP5.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.59
LogP ≤ 55.07
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'}

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Related Compounds

3-[5-(2-Tert-butylhexa-2,3-dienyl)-2,2-dimethyl-1,3-dioxan-5-yl]prop-1-ynyl-trimethylsilane
CID 135047946
Tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-2-(2-methylprop-2-enyl)hex-4-ynoxy]-dimethylsilane
CID 11561264
6-Tert-butyl-4,4-bis(methoxymethyl)nona-6,7-dien-1-yne
CID 24865694
8-[5-(2-Tert-butylhexa-2,3-dienyl)-2,2-dimethyl-1,3-dioxan-5-yl]octa-1,6-diynyl-trimethylsilane
CID 102000907

Frequently Asked Questions

What is the IUPAC name of [6-tert-butyl-4,4-bis(methoxymethyl)nona-6,7-dien-1-ynyl]-trimethylsilane?
The IUPAC name of [6-tert-butyl-4,4-bis(methoxymethyl)nona-6,7-dien-1-ynyl]-trimethylsilane (CID 135011635) is [6-tert-butyl-4,4-bis(methoxymethyl)nona-6,7-dien-1-ynyl]-trimethylsilane.
What is the SMILES notation for [6-tert-butyl-4,4-bis(methoxymethyl)nona-6,7-dien-1-ynyl]-trimethylsilane?
The canonical SMILES for [6-tert-butyl-4,4-bis(methoxymethyl)nona-6,7-dien-1-ynyl]-trimethylsilane is CC=C=C(CC(CC#C[Si](C)(C)C)(COC)COC)C(C)(C)C.
What is the InChIKey of [6-tert-butyl-4,4-bis(methoxymethyl)nona-6,7-dien-1-ynyl]-trimethylsilane?
The InChIKey is GHEFRVVPESWUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O2Si/c1-10-12-18(19(2,3)4)15-20(16-21-5,17-22-6)13-11-14-23(7,8)9/h10H,13,15-17H2,1-9H3.
What are the key properties of [6-tert-butyl-4,4-bis(methoxymethyl)nona-6,7-dien-1-ynyl]-trimethylsilane?
[6-tert-butyl-4,4-bis(methoxymethyl)nona-6,7-dien-1-ynyl]-trimethylsilane has a molecular weight of 336.59 g/mol, XLogP of 5.07, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-tert-butyl-4,4-bis(methoxymethyl)nona-6,7-dien-1-ynyl]-trimethylsilane is sourced from PubChem (CID 135011635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).