(4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl)oxy-trimethylsilane

C14H24OSi — CID 19751863

IUPAC(4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl)oxy-trimethylsilane
SMILESC#CC1=C(C)CC(O[Si](C)(C)C)CC1(C)C
InChIInChI=1S/C14H24OSi/c1-8-13-11(2)9-12(10-14(13,3)4)15-16(5,6)7/h1,12H,9-10H2,2-7H3
InChIKeyKZXBGDYVHZQXRD-UHFFFAOYSA-N
MW236.43 g/mol
LogP3.98
Rot. Bonds2

About (4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl)oxy-trimethylsilane

(4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl)oxy-trimethylsilane (PubChem CID 19751863) has the molecular formula C14H24OSi and a molecular weight of 236.43 g/mol. Its IUPAC name is (4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl)oxy-trimethylsilane
PubChem CID19751863
Molecular FormulaC14H24OSi
Molecular Weight236.43 g/mol
Exact Mass236.16
IUPAC Name(4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl)oxy-trimethylsilane
SMILESC#CC1=C(C)CC(O[Si](C)(C)C)CC1(C)C
InChIInChI=1S/C14H24OSi/c1-8-13-11(2)9-12(10-14(13,3)4)15-16(5,6)7/h1,12H,9-10H2,2-7H3
InChIKeyKZXBGDYVHZQXRD-UHFFFAOYSA-N
XLogP3.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.43
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

Tert-butyl-dimethyl-[1-(2,6,6-trimethylcyclohexen-1-yl)but-3-ynoxy]silane
CID 14635022
[(1R)-4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-trimethylsilane
CID 54022486
(1S)-1-tert-butyldimethylsilyloxy-3,4,5,5-tetramethyl-3-cyclohexene
CID 57276695
(2S)-4-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]but-3-yn-2-ol
CID 10496113
(2R)-4-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]but-3-yn-2-ol
CID 10543874
tert-butyl-[(1R)-4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane
CID 10660274
tert-butyl-dimethyl-[(1R)-3,4,5,5-tetramethylcyclohex-3-en-1-yl]oxysilane
CID 10683366
4-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]but-3-yn-2-one
CID 10734502
Tert-butyl-dimethyl-(3,4,5,5-tetramethylcyclohex-3-en-1-yl)oxysilane
CID 15375848
[(1S,2R)-2-but-3-enyl-2-ethynyl-3-methylcyclohex-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 56594956
triethyl-[(1R)-4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl]oxysilane
CID 57521332
Tert-butyl-dimethyl-[2,2,4-trimethyl-3-(trimethylstannylmethyl)cyclohex-3-en-1-yl]oxysilane
CID 177470456

Frequently Asked Questions

What is the IUPAC name of (4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl)oxy-trimethylsilane?
The IUPAC name of (4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl)oxy-trimethylsilane (CID 19751863) is (4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl)oxy-trimethylsilane.
What is the SMILES notation for (4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl)oxy-trimethylsilane?
The canonical SMILES for (4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl)oxy-trimethylsilane is C#CC1=C(C)CC(O[Si](C)(C)C)CC1(C)C.
What is the InChIKey of (4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl)oxy-trimethylsilane?
The InChIKey is KZXBGDYVHZQXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24OSi/c1-8-13-11(2)9-12(10-14(13,3)4)15-16(5,6)7/h1,12H,9-10H2,2-7H3.
What are the key properties of (4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl)oxy-trimethylsilane?
(4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl)oxy-trimethylsilane has a molecular weight of 236.43 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl)oxy-trimethylsilane is sourced from PubChem (CID 19751863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).