[(3R,6S)-3-butyl-6-tert-butylcyclohexen-1-yl]oxy-trimethylsilane

C17H34OSi — CID 134922490

IUPAC[(3R,6S)-3-butyl-6-tert-butylcyclohexen-1-yl]oxy-trimethylsilane
SMILESCCCC[C@H]1C=C(O[Si](C)(C)C)[C@H](C(C)(C)C)CC1
InChIInChI=1S/C17H34OSi/c1-8-9-10-14-11-12-15(17(2,3)4)16(13-14)18-19(5,6)7/h13-15H,8-12H2,1-7H3/t14-,15-/m1/s1
InChIKeyAYKSXZQSLGWXRZ-HUUCEWRRSA-N
MW282.54 g/mol
LogP5.98
Rot. Bonds5

About [(3R,6S)-3-butyl-6-tert-butylcyclohexen-1-yl]oxy-trimethylsilane

[(3R,6S)-3-butyl-6-tert-butylcyclohexen-1-yl]oxy-trimethylsilane (PubChem CID 134922490) has the molecular formula C17H34OSi and a molecular weight of 282.54 g/mol. Its IUPAC name is [(3R,6S)-3-butyl-6-tert-butylcyclohexen-1-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(3R,6S)-3-butyl-6-tert-butylcyclohexen-1-yl]oxy-trimethylsilane
PubChem CID134922490
Molecular FormulaC17H34OSi
Molecular Weight282.54 g/mol
Exact Mass282.24
IUPAC Name[(3R,6S)-3-butyl-6-tert-butylcyclohexen-1-yl]oxy-trimethylsilane
SMILESCCCC[C@H]1C=C(O[Si](C)(C)C)[C@H](C(C)(C)C)CC1
InChIInChI=1S/C17H34OSi/c1-8-9-10-14-11-12-15(17(2,3)4)16(13-14)18-19(5,6)7/h13-15H,8-12H2,1-7H3/t14-,15-/m1/s1
InChIKeyAYKSXZQSLGWXRZ-HUUCEWRRSA-N
XLogP5.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.54
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3-butylcyclohexen-1-yl)oxy-trimethylsilane
CID 597983
trimethyl-[3-(3-trimethylsilyloxycyclohex-2-en-1-yl)propyl]silane
CID 15505011
tert-butyl-dimethyl-(3-tributylstannylcyclopent-2-en-1-yl)oxysilane
CID 15630112
CID 135077004
CID 135077004
tert-butyl-dimethyl-[3-(5-trimethylsilyloxy-3,4-dihydro-2H-pyran-4-yl)propoxy]silane
CID 139700392
butyl-[3-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]phosphinic acid
CID 22281267
(2S,4R)-4-butyl-2-[(2-methylpropan-2-yl)oxy]oxolane
CID 15416031
bis(3-butyl-5-tert-butylcyclopenta-1,4-dien-1-yl)-dimethylsilane
CID 18778904
2-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-5-propoxypyrimidine
CID 19839720
1-[(Z)-2-bromo-2-chloroethenyl]-3-butylcyclopentene
CID 88825739
(1R,4S,8R)-8-butyl-4,6-dichloro-1-methyl-2-oxa-5-azabicyclo[2.2.2]oct-5-en-3-one
CID 101028377
2-[2-(oxolan-2-yl)heptan-2-yl]oxolane
CID 141391845

Frequently Asked Questions

What is the IUPAC name of [(3R,6S)-3-butyl-6-tert-butylcyclohexen-1-yl]oxy-trimethylsilane?
The IUPAC name of [(3R,6S)-3-butyl-6-tert-butylcyclohexen-1-yl]oxy-trimethylsilane (CID 134922490) is [(3R,6S)-3-butyl-6-tert-butylcyclohexen-1-yl]oxy-trimethylsilane.
What is the SMILES notation for [(3R,6S)-3-butyl-6-tert-butylcyclohexen-1-yl]oxy-trimethylsilane?
The canonical SMILES for [(3R,6S)-3-butyl-6-tert-butylcyclohexen-1-yl]oxy-trimethylsilane is CCCC[C@H]1C=C(O[Si](C)(C)C)[C@H](C(C)(C)C)CC1.
What is the InChIKey of [(3R,6S)-3-butyl-6-tert-butylcyclohexen-1-yl]oxy-trimethylsilane?
The InChIKey is AYKSXZQSLGWXRZ-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H34OSi/c1-8-9-10-14-11-12-15(17(2,3)4)16(13-14)18-19(5,6)7/h13-15H,8-12H2,1-7H3/t14-,15-/m1/s1.
What are the key properties of [(3R,6S)-3-butyl-6-tert-butylcyclohexen-1-yl]oxy-trimethylsilane?
[(3R,6S)-3-butyl-6-tert-butylcyclohexen-1-yl]oxy-trimethylsilane has a molecular weight of 282.54 g/mol, XLogP of 5.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,6S)-3-butyl-6-tert-butylcyclohexen-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 134922490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).