(3-but-3-enylcyclohexen-1-yl)oxy-tert-butyl-dimethylsilane

C16H30OSi — CID 10706895

IUPAC(3-but-3-enylcyclohexen-1-yl)oxy-tert-butyl-dimethylsilane
SMILESC=CCCC1C=C(O[Si](C)(C)C(C)(C)C)CCC1
InChIInChI=1S/C16H30OSi/c1-7-8-10-14-11-9-12-15(13-14)17-18(5,6)16(2,3)4/h7,13-14H,1,8-12H2,2-6H3
InChIKeyPBHPMQODFNOGMZ-UHFFFAOYSA-N
MW266.50 g/mol
LogP5.66
Rot. Bonds5

About (3-but-3-enylcyclohexen-1-yl)oxy-tert-butyl-dimethylsilane

(3-but-3-enylcyclohexen-1-yl)oxy-tert-butyl-dimethylsilane (PubChem CID 10706895) has the molecular formula C16H30OSi and a molecular weight of 266.50 g/mol. Its IUPAC name is (3-but-3-enylcyclohexen-1-yl)oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(3-but-3-enylcyclohexen-1-yl)oxy-tert-butyl-dimethylsilane
PubChem CID10706895
Molecular FormulaC16H30OSi
Molecular Weight266.50 g/mol
Exact Mass266.21
IUPAC Name(3-but-3-enylcyclohexen-1-yl)oxy-tert-butyl-dimethylsilane
SMILESC=CCCC1C=C(O[Si](C)(C)C(C)(C)C)CCC1
InChIInChI=1S/C16H30OSi/c1-7-8-10-14-11-9-12-15(13-14)17-18(5,6)16(2,3)4/h7,13-14H,1,8-12H2,2-6H3
InChIKeyPBHPMQODFNOGMZ-UHFFFAOYSA-N
XLogP5.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.50
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Trimethyl-(3-methyl-cyclohex-1-enyloxy)-silane
CID 597981
(3-Ethylcyclohexen-1-yl)oxy-trimethylsilane
CID 597987
(3-But-3-enylcyclopenten-1-yl)oxy-trimethylsilane
CID 10375839
Trimethyl-[3-(3-methylbut-3-enyl)cyclohexen-1-yl]oxysilane
CID 10490148
Trimethyl-[3-(4-methylpent-3-enyl)cyclohexen-1-yl]oxysilane
CID 10658496
(3-But-3-enylcyclohexen-1-yl)oxy-trimethylsilane
CID 11042390
trimethyl-[(3R,6S)-3-methyl-6-propan-2-ylcyclohexen-1-yl]oxysilane
CID 11096320
[(3S)-3-ethylcyclohexen-1-yl]oxy-trimethylsilane
CID 11229389
4-Tert-butyl-1-cyclohexen-1-yl tert-butyl(dimethyl)silyl ether
CID 12439600
Trimethyl-(5-methylcyclohexen-1-yl)oxysilane
CID 12608286
4-Methyl-1-(trimethylsilyloxy)-1-cyclohexene
CID 15564294
tert-butyl-[4-[(1R)-cyclohex-2-en-1-yl]-2-methylbutan-2-yl]oxy-dimethylsilane
CID 162400600

Frequently Asked Questions

What is the IUPAC name of (3-but-3-enylcyclohexen-1-yl)oxy-tert-butyl-dimethylsilane?
The IUPAC name of (3-but-3-enylcyclohexen-1-yl)oxy-tert-butyl-dimethylsilane (CID 10706895) is (3-but-3-enylcyclohexen-1-yl)oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (3-but-3-enylcyclohexen-1-yl)oxy-tert-butyl-dimethylsilane?
The canonical SMILES for (3-but-3-enylcyclohexen-1-yl)oxy-tert-butyl-dimethylsilane is C=CCCC1C=C(O[Si](C)(C)C(C)(C)C)CCC1.
What is the InChIKey of (3-but-3-enylcyclohexen-1-yl)oxy-tert-butyl-dimethylsilane?
The InChIKey is PBHPMQODFNOGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30OSi/c1-7-8-10-14-11-9-12-15(13-14)17-18(5,6)16(2,3)4/h7,13-14H,1,8-12H2,2-6H3.
What are the key properties of (3-but-3-enylcyclohexen-1-yl)oxy-tert-butyl-dimethylsilane?
(3-but-3-enylcyclohexen-1-yl)oxy-tert-butyl-dimethylsilane has a molecular weight of 266.50 g/mol, XLogP of 5.66, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-but-3-enylcyclohexen-1-yl)oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10706895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).