3-(cyclohexen-1-yl)prop-2-ynoxy-trimethylsilane

C12H20OSi — CID 121015553

IUPAC3-(cyclohexen-1-yl)prop-2-ynoxy-trimethylsilane
SMILESC[Si](C)(C)OCC#CC1=CCCCC1
InChIInChI=1S/C12H20OSi/c1-14(2,3)13-11-7-10-12-8-5-4-6-9-12/h8H,4-6,9,11H2,1-3H3
InChIKeyLYPHACHREHYPGR-UHFFFAOYSA-N
MW208.38 g/mol
LogP3.34
Rot. Bonds2

About 3-(cyclohexen-1-yl)prop-2-ynoxy-trimethylsilane

3-(cyclohexen-1-yl)prop-2-ynoxy-trimethylsilane (PubChem CID 121015553) has the molecular formula C12H20OSi and a molecular weight of 208.38 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)prop-2-ynoxy-trimethylsilane.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)prop-2-ynoxy-trimethylsilane
PubChem CID121015553
Molecular FormulaC12H20OSi
Molecular Weight208.38 g/mol
Exact Mass208.13
IUPAC Name3-(cyclohexen-1-yl)prop-2-ynoxy-trimethylsilane
SMILESC[Si](C)(C)OCC#CC1=CCCCC1
InChIInChI=1S/C12H20OSi/c1-14(2,3)13-11-7-10-12-8-5-4-6-9-12/h8H,4-6,9,11H2,1-3H3
InChIKeyLYPHACHREHYPGR-UHFFFAOYSA-N
XLogP3.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.38
LogP ≤ 53.34
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

[(E)-cyclohex-3-en-1-ylidenemethoxy]-trimethylsilane
CID 12506572
2-(Cyclohexen-1-yl)ethynyl-hydroxy-dimethylsilane
CID 11298309
2-(Cyclohexen-1-yl)ethynoxy-tri(propan-2-yl)silane
CID 101766695
tert-butyl-dimethyl-[3-[(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]prop-2-ynoxy]silane
CID 134977778
[(Z)-cyclohex-3-en-1-ylidenemethoxy]-trimethylsilane
CID 135045700
2,2-Dimethyl-5-(3-methylidenehept-1-ynyl)-3,6-dihydrooxasiline
CID 135061443
2-(Cyclohexen-1-yl)ethyl-diethoxy-methylsilane
CID 17959345
Cyclohexen-1-ylmethyl(triethoxy)silane
CID 23109701
2-(Cyclohexen-1-yl)ethyl-ethoxy-dimethylsilane
CID 53879430
(3-Cyclohexenylprop-2-ynyloxy)dimethylsilane
CID 59227480
(3-Cyclohexenylprop-2-ynyloxy)diisopropylsilane
CID 59227494
1-(4-Methoxybut-1-ynyl)cyclohexene
CID 90946966

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-yl)prop-2-ynoxy-trimethylsilane?
The IUPAC name of 3-(cyclohexen-1-yl)prop-2-ynoxy-trimethylsilane (CID 121015553) is 3-(cyclohexen-1-yl)prop-2-ynoxy-trimethylsilane.
What is the SMILES notation for 3-(cyclohexen-1-yl)prop-2-ynoxy-trimethylsilane?
The canonical SMILES for 3-(cyclohexen-1-yl)prop-2-ynoxy-trimethylsilane is C[Si](C)(C)OCC#CC1=CCCCC1.
What is the InChIKey of 3-(cyclohexen-1-yl)prop-2-ynoxy-trimethylsilane?
The InChIKey is LYPHACHREHYPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OSi/c1-14(2,3)13-11-7-10-12-8-5-4-6-9-12/h8H,4-6,9,11H2,1-3H3.
What are the key properties of 3-(cyclohexen-1-yl)prop-2-ynoxy-trimethylsilane?
3-(cyclohexen-1-yl)prop-2-ynoxy-trimethylsilane has a molecular weight of 208.38 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)prop-2-ynoxy-trimethylsilane is sourced from PubChem (CID 121015553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).