5-[(1S,5S)-5-tert-butyl-2-ethenylidenecyclohexyl]pent-1-ynyl-trimethylsilane

C20H34Si — CID 44520658

IUPAC5-[(1S,5S)-5-tert-butyl-2-ethenylidenecyclohexyl]pent-1-ynyl-trimethylsilane
SMILESC=C=C1CC[C@H](C(C)(C)C)C[C@@H]1CCCC#C[Si](C)(C)C
InChIInChI=1S/C20H34Si/c1-8-17-13-14-19(20(2,3)4)16-18(17)12-10-9-11-15-21(5,6)7/h18-19H,1,9-10,12-14,16H2,2-7H3/t18-,19-/m0/s1
InChIKeyCNXYYXPFFRFKGL-OALUTQOASA-N
MW302.58 g/mol
LogP6.21
Rot. Bonds3

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

5-[(1S,5S)-5-tert-butyl-2-ethenylidenecyclohexyl]pent-1-ynyl-trimethylsilane (PubChem CID 44520658) has the molecular formula C20H34Si and a molecular weight of 302.58 g/mol. Its IUPAC name is 5-[(1S,5S)-5-tert-butyl-2-ethenylidenecyclohexyl]pent-1-ynyl-trimethylsilane.

Molecular Properties

Compound Name5-[(1S,5S)-5-tert-butyl-2-ethenylidenecyclohexyl]pent-1-ynyl-trimethylsilane
PubChem CID44520658
Molecular FormulaC20H34Si
Molecular Weight302.58 g/mol
Exact Mass302.24
IUPAC Name5-[(1S,5S)-5-tert-butyl-2-ethenylidenecyclohexyl]pent-1-ynyl-trimethylsilane
SMILESC=C=C1CC[C@H](C(C)(C)C)C[C@@H]1CCCC#C[Si](C)(C)C
InChIInChI=1S/C20H34Si/c1-8-17-13-14-19(20(2,3)4)16-18(17)12-10-9-11-15-21(5,6)7/h18-19H,1,9-10,12-14,16H2,2-7H3/t18-,19-/m0/s1
InChIKeyCNXYYXPFFRFKGL-OALUTQOASA-N
XLogP6.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.58
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
2-(4-Tert-butylcyclohexyl)prop-2-enyl-trimethylsilane
CID 86100684
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
3-[(1R,5S)-5-tert-butyl-2-ethenylidenecyclohexyl]prop-1-ynyl-trimethylsilane
CID 44520657
(4-Cyclohexyl-3-methylidenepent-1-ynyl)-tri(propan-2-yl)silane
CID 102235452

Frequently Asked Questions

What is the IUPAC name of 5-[(1S,5S)-5-tert-butyl-2-ethenylidenecyclohexyl]pent-1-ynyl-trimethylsilane?
The IUPAC name of 5-[(1S,5S)-5-tert-butyl-2-ethenylidenecyclohexyl]pent-1-ynyl-trimethylsilane (CID 44520658) is 5-[(1S,5S)-5-tert-butyl-2-ethenylidenecyclohexyl]pent-1-ynyl-trimethylsilane.
What is the SMILES notation for 5-[(1S,5S)-5-tert-butyl-2-ethenylidenecyclohexyl]pent-1-ynyl-trimethylsilane?
The canonical SMILES for 5-[(1S,5S)-5-tert-butyl-2-ethenylidenecyclohexyl]pent-1-ynyl-trimethylsilane is C=C=C1CC[C@H](C(C)(C)C)C[C@@H]1CCCC#C[Si](C)(C)C.
What is the InChIKey of 5-[(1S,5S)-5-tert-butyl-2-ethenylidenecyclohexyl]pent-1-ynyl-trimethylsilane?
The InChIKey is CNXYYXPFFRFKGL-OALUTQOASA-N. The full InChI is InChI=1S/C20H34Si/c1-8-17-13-14-19(20(2,3)4)16-18(17)12-10-9-11-15-21(5,6)7/h18-19H,1,9-10,12-14,16H2,2-7H3/t18-,19-/m0/s1.
What are the key properties of 5-[(1S,5S)-5-tert-butyl-2-ethenylidenecyclohexyl]pent-1-ynyl-trimethylsilane?
5-[(1S,5S)-5-tert-butyl-2-ethenylidenecyclohexyl]pent-1-ynyl-trimethylsilane has a molecular weight of 302.58 g/mol, XLogP of 6.21, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S,5S)-5-tert-butyl-2-ethenylidenecyclohexyl]pent-1-ynyl-trimethylsilane is sourced from PubChem (CID 44520658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).