tert-butyl-dimethyl-[(2,6,6-trimethyl-3-prop-2-ynoxycyclohexen-1-yl)methoxy]silane

C19H34O2Si — CID 11034638

IUPACtert-butyl-dimethyl-[(2,6,6-trimethyl-3-prop-2-ynoxycyclohexen-1-yl)methoxy]silane
SMILESC#CCOC1CCC(C)(C)C(CO[Si](C)(C)C(C)(C)C)=C1C
InChIInChI=1S/C19H34O2Si/c1-10-13-20-17-11-12-19(6,7)16(15(17)2)14-21-22(8,9)18(3,4)5/h1,17H,11-14H2,2-9H3
InChIKeyDHGNOTGIPNBTEW-UHFFFAOYSA-N
MW322.57 g/mol
LogP5.16
Rot. Bonds5

About tert-butyl-dimethyl-[(2,6,6-trimethyl-3-prop-2-ynoxycyclohexen-1-yl)methoxy]silane

tert-butyl-dimethyl-[(2,6,6-trimethyl-3-prop-2-ynoxycyclohexen-1-yl)methoxy]silane (PubChem CID 11034638) has the molecular formula C19H34O2Si and a molecular weight of 322.57 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2,6,6-trimethyl-3-prop-2-ynoxycyclohexen-1-yl)methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2,6,6-trimethyl-3-prop-2-ynoxycyclohexen-1-yl)methoxy]silane
PubChem CID11034638
Molecular FormulaC19H34O2Si
Molecular Weight322.57 g/mol
Exact Mass322.23
IUPAC Nametert-butyl-dimethyl-[(2,6,6-trimethyl-3-prop-2-ynoxycyclohexen-1-yl)methoxy]silane
SMILESC#CCOC1CCC(C)(C)C(CO[Si](C)(C)C(C)(C)C)=C1C
InChIInChI=1S/C19H34O2Si/c1-10-13-20-17-11-12-19(6,7)16(15(17)2)14-21-22(8,9)18(3,4)5/h1,17H,11-14H2,2-9H3
InChIKeyDHGNOTGIPNBTEW-UHFFFAOYSA-N
XLogP5.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.57
LogP ≤ 55.16
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Tert-butyl-dimethyl-[1-(2,6,6-trimethylcyclohexen-1-yl)but-3-ynoxy]silane
CID 14635022
tert-butyl-[[(1R,2S)-1-ethynyl-4-methyl-2-prop-2-enoxycyclohex-3-en-1-yl]methoxy]-dimethylsilane
CID 16127490
Tert-butyl-[3-(15-methoxy-15-methylhexadecyl)-2,4,4-trimethylcyclohex-2-en-1-yl]oxy-dimethylsilane
CID 162724307
[3-(15-Methoxy-15-methylhexadecyl)-2,4,4-trimethylcyclohex-2-en-1-yl]oxy-dimethylsilane
CID 174058627
tert-butyl-[[(3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-3-methyl-3-(5-methylhex-3-ynyl)cyclohexen-1-yl]methoxy]-dimethylsilane
CID 11329288
[(7S,9R)-2,3,6,6-tetramethyl-7-tri(propan-2-yl)silyloxy-1,4,5,7,8,9-hexahydrobenzo[7]annulen-9-yl] acetate
CID 49831439
[(2E)-2-[(5S,7aR)-7a-methyl-5-prop-2-ynoxy-3,5,6,7-tetrahydro-2H-inden-1-ylidene]ethyl]-trimethylsilane
CID 71475277
tert-butyl-[[(1R,2S)-1-ethenyl-4-methyl-2-prop-2-ynoxycyclohex-3-en-1-yl]methoxy]-dimethylsilane
CID 101790117
tert-butyl-[[(1S,2S)-1-ethenyl-4-methyl-2-prop-2-ynoxycyclohex-3-en-1-yl]methoxy]-dimethylsilane
CID 101790125

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2,6,6-trimethyl-3-prop-2-ynoxycyclohexen-1-yl)methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(2,6,6-trimethyl-3-prop-2-ynoxycyclohexen-1-yl)methoxy]silane (CID 11034638) is tert-butyl-dimethyl-[(2,6,6-trimethyl-3-prop-2-ynoxycyclohexen-1-yl)methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(2,6,6-trimethyl-3-prop-2-ynoxycyclohexen-1-yl)methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(2,6,6-trimethyl-3-prop-2-ynoxycyclohexen-1-yl)methoxy]silane is C#CCOC1CCC(C)(C)C(CO[Si](C)(C)C(C)(C)C)=C1C.
What is the InChIKey of tert-butyl-dimethyl-[(2,6,6-trimethyl-3-prop-2-ynoxycyclohexen-1-yl)methoxy]silane?
The InChIKey is DHGNOTGIPNBTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O2Si/c1-10-13-20-17-11-12-19(6,7)16(15(17)2)14-21-22(8,9)18(3,4)5/h1,17H,11-14H2,2-9H3.
What are the key properties of tert-butyl-dimethyl-[(2,6,6-trimethyl-3-prop-2-ynoxycyclohexen-1-yl)methoxy]silane?
tert-butyl-dimethyl-[(2,6,6-trimethyl-3-prop-2-ynoxycyclohexen-1-yl)methoxy]silane has a molecular weight of 322.57 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2,6,6-trimethyl-3-prop-2-ynoxycyclohexen-1-yl)methoxy]silane is sourced from PubChem (CID 11034638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).