3-[(1R,5S)-5-tert-butyl-2-ethenylidenecyclohexyl]prop-1-ynyl-trimethylsilane

C18H30Si — CID 44520657

IUPAC3-[(1R,5S)-5-tert-butyl-2-ethenylidenecyclohexyl]prop-1-ynyl-trimethylsilane
SMILESC=C=C1CC[C@H](C(C)(C)C)C[C@@H]1CC#C[Si](C)(C)C
InChIInChI=1S/C18H30Si/c1-8-15-11-12-17(18(2,3)4)14-16(15)10-9-13-19(5,6)7/h16-17H,1,10-12,14H2,2-7H3/t16-,17-/m0/s1
InChIKeyXBSVUARRARSDER-IRXDYDNUSA-N
MW274.52 g/mol
LogP5.43
Rot. Bonds1

About 3-[(1R,5S)-5-tert-butyl-2-ethenylidenecyclohexyl]prop-1-ynyl-trimethylsilane

3-[(1R,5S)-5-tert-butyl-2-ethenylidenecyclohexyl]prop-1-ynyl-trimethylsilane (PubChem CID 44520657) has the molecular formula C18H30Si and a molecular weight of 274.52 g/mol. Its IUPAC name is 3-[(1R,5S)-5-tert-butyl-2-ethenylidenecyclohexyl]prop-1-ynyl-trimethylsilane.

Molecular Properties

Compound Name3-[(1R,5S)-5-tert-butyl-2-ethenylidenecyclohexyl]prop-1-ynyl-trimethylsilane
PubChem CID44520657
Molecular FormulaC18H30Si
Molecular Weight274.52 g/mol
Exact Mass274.21
IUPAC Name3-[(1R,5S)-5-tert-butyl-2-ethenylidenecyclohexyl]prop-1-ynyl-trimethylsilane
SMILESC=C=C1CC[C@H](C(C)(C)C)C[C@@H]1CC#C[Si](C)(C)C
InChIInChI=1S/C18H30Si/c1-8-15-11-12-17(18(2,3)4)14-16(15)10-9-13-19(5,6)7/h16-17H,1,10-12,14H2,2-7H3/t16-,17-/m0/s1
InChIKeyXBSVUARRARSDER-IRXDYDNUSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.52
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-[3-(4-tert-butylcyclohexylidene)hept-1-ynyl]-dimethylsilane
CID 11290962
Tert-butyl-[1-(4-tert-butylcyclohexylidene)hept-2-ynyl]-dimethylsilane
CID 135007250
[(2R)-4-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]but-3-yn-2-yl]-trimethylsilane
CID 139775018
4-(2,2-Dimethyl-6-methylidenecyclohexyl)but-1-ynyl-trimethylsilane
CID 14563320
5-[(1S,5S)-5-tert-butyl-2-ethenylidenecyclohexyl]pent-1-ynyl-trimethylsilane
CID 44520658
(4-Tert-butylcyclohexylidene)methyl-trimethylsilane
CID 101921209
(4-Cyclohexyl-3-methylidenepent-1-ynyl)-tri(propan-2-yl)silane
CID 102235452

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,5S)-5-tert-butyl-2-ethenylidenecyclohexyl]prop-1-ynyl-trimethylsilane?
The IUPAC name of 3-[(1R,5S)-5-tert-butyl-2-ethenylidenecyclohexyl]prop-1-ynyl-trimethylsilane (CID 44520657) is 3-[(1R,5S)-5-tert-butyl-2-ethenylidenecyclohexyl]prop-1-ynyl-trimethylsilane.
What is the SMILES notation for 3-[(1R,5S)-5-tert-butyl-2-ethenylidenecyclohexyl]prop-1-ynyl-trimethylsilane?
The canonical SMILES for 3-[(1R,5S)-5-tert-butyl-2-ethenylidenecyclohexyl]prop-1-ynyl-trimethylsilane is C=C=C1CC[C@H](C(C)(C)C)C[C@@H]1CC#C[Si](C)(C)C.
What is the InChIKey of 3-[(1R,5S)-5-tert-butyl-2-ethenylidenecyclohexyl]prop-1-ynyl-trimethylsilane?
The InChIKey is XBSVUARRARSDER-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H30Si/c1-8-15-11-12-17(18(2,3)4)14-16(15)10-9-13-19(5,6)7/h16-17H,1,10-12,14H2,2-7H3/t16-,17-/m0/s1.
What are the key properties of 3-[(1R,5S)-5-tert-butyl-2-ethenylidenecyclohexyl]prop-1-ynyl-trimethylsilane?
3-[(1R,5S)-5-tert-butyl-2-ethenylidenecyclohexyl]prop-1-ynyl-trimethylsilane has a molecular weight of 274.52 g/mol, XLogP of 5.43, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,5S)-5-tert-butyl-2-ethenylidenecyclohexyl]prop-1-ynyl-trimethylsilane is sourced from PubChem (CID 44520657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).