3-[5-(2-tert-butylhexa-2,3-dienyl)-2,2-dimethyl-1,3-dioxan-5-yl]prop-1-ynyl-trimethylsilane

C22H38O2Si — CID 135047946

IUPAC3-[5-(2-tert-butylhexa-2,3-dienyl)-2,2-dimethyl-1,3-dioxan-5-yl]prop-1-ynyl-trimethylsilane
SMILESCCC=C=C(CC1(CC#C[Si](C)(C)C)COC(C)(C)OC1)C(C)(C)C
InChIInChI=1S/C22H38O2Si/c1-10-11-13-19(20(2,3)4)16-22(14-12-15-25(7,8)9)17-23-21(5,6)24-18-22/h11H,10,14,16-18H2,1-9H3
InChIKeyMAMVAUFTXTVOMB-UHFFFAOYSA-N
MW362.63 g/mol
LogP5.95
Rot. Bonds4

About 3-[5-(2-tert-butylhexa-2,3-dienyl)-2,2-dimethyl-1,3-dioxan-5-yl]prop-1-ynyl-trimethylsilane

3-[5-(2-tert-butylhexa-2,3-dienyl)-2,2-dimethyl-1,3-dioxan-5-yl]prop-1-ynyl-trimethylsilane (PubChem CID 135047946) has the molecular formula C22H38O2Si and a molecular weight of 362.63 g/mol. Its IUPAC name is 3-[5-(2-tert-butylhexa-2,3-dienyl)-2,2-dimethyl-1,3-dioxan-5-yl]prop-1-ynyl-trimethylsilane.

Molecular Properties

Compound Name3-[5-(2-tert-butylhexa-2,3-dienyl)-2,2-dimethyl-1,3-dioxan-5-yl]prop-1-ynyl-trimethylsilane
PubChem CID135047946
Molecular FormulaC22H38O2Si
Molecular Weight362.63 g/mol
Exact Mass362.26
IUPAC Name3-[5-(2-tert-butylhexa-2,3-dienyl)-2,2-dimethyl-1,3-dioxan-5-yl]prop-1-ynyl-trimethylsilane
SMILESCCC=C=C(CC1(CC#C[Si](C)(C)C)COC(C)(C)OC1)C(C)(C)C
InChIInChI=1S/C22H38O2Si/c1-10-11-13-19(20(2,3)4)16-22(14-12-15-25(7,8)9)17-23-21(5,6)24-18-22/h11H,10,14,16-18H2,1-9H3
InChIKeyMAMVAUFTXTVOMB-UHFFFAOYSA-N
XLogP5.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.63
LogP ≤ 55.95
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

5-(2-Tert-butylhexa-2,3-dienyl)-2,2-dimethyl-5-prop-2-ynyl-1,3-dioxane
CID 11808424
[6-Tert-butyl-4,4-bis(methoxymethyl)nona-6,7-dien-1-ynyl]-trimethylsilane
CID 135011635
Tert-butyl-[4-[5-(5,5-dimethylhexa-2,3-dienyl)-2,2-dimethyl-1,3-dioxan-5-yl]but-2-ynoxy]-dimethylsilane
CID 25215765
8-[5-(2-Tert-butylhexa-2,3-dienyl)-2,2-dimethyl-1,3-dioxan-5-yl]octa-1,6-diynyl-trimethylsilane
CID 102000907
[(6E)-6-[10-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-en-8-ylidene]hex-1-ynyl]-trimethylsilane
CID 102000908
[(6E)-6-[10-tert-butyl-3,3-dimethyl-9-[(Z)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-en-8-ylidene]hex-1-ynyl]-trimethylsilane
CID 102000909
5-(2-Tert-butyl-4-methylnona-2,3-dien-8-ynyl)-2,2-dimethyl-5-prop-2-ynyl-1,3-dioxane
CID 102123510
5-(2-Tert-butyl-4-methylpenta-2,3-dienyl)-2,2-dimethyl-5-nona-2,8-diynyl-1,3-dioxane
CID 102123511

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-tert-butylhexa-2,3-dienyl)-2,2-dimethyl-1,3-dioxan-5-yl]prop-1-ynyl-trimethylsilane?
The IUPAC name of 3-[5-(2-tert-butylhexa-2,3-dienyl)-2,2-dimethyl-1,3-dioxan-5-yl]prop-1-ynyl-trimethylsilane (CID 135047946) is 3-[5-(2-tert-butylhexa-2,3-dienyl)-2,2-dimethyl-1,3-dioxan-5-yl]prop-1-ynyl-trimethylsilane.
What is the SMILES notation for 3-[5-(2-tert-butylhexa-2,3-dienyl)-2,2-dimethyl-1,3-dioxan-5-yl]prop-1-ynyl-trimethylsilane?
The canonical SMILES for 3-[5-(2-tert-butylhexa-2,3-dienyl)-2,2-dimethyl-1,3-dioxan-5-yl]prop-1-ynyl-trimethylsilane is CCC=C=C(CC1(CC#C[Si](C)(C)C)COC(C)(C)OC1)C(C)(C)C.
What is the InChIKey of 3-[5-(2-tert-butylhexa-2,3-dienyl)-2,2-dimethyl-1,3-dioxan-5-yl]prop-1-ynyl-trimethylsilane?
The InChIKey is MAMVAUFTXTVOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O2Si/c1-10-11-13-19(20(2,3)4)16-22(14-12-15-25(7,8)9)17-23-21(5,6)24-18-22/h11H,10,14,16-18H2,1-9H3.
What are the key properties of 3-[5-(2-tert-butylhexa-2,3-dienyl)-2,2-dimethyl-1,3-dioxan-5-yl]prop-1-ynyl-trimethylsilane?
3-[5-(2-tert-butylhexa-2,3-dienyl)-2,2-dimethyl-1,3-dioxan-5-yl]prop-1-ynyl-trimethylsilane has a molecular weight of 362.63 g/mol, XLogP of 5.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-tert-butylhexa-2,3-dienyl)-2,2-dimethyl-1,3-dioxan-5-yl]prop-1-ynyl-trimethylsilane is sourced from PubChem (CID 135047946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).