2-(2-ethynylcyclohexen-1-yl)ethynyl-tri(propan-2-yl)silane

C19H30Si — CID 25139239

IUPAC2-(2-ethynylcyclohexen-1-yl)ethynyl-tri(propan-2-yl)silane
SMILESC#CC1=C(C#C[Si](C(C)C)(C(C)C)C(C)C)CCCC1
InChIInChI=1S/C19H30Si/c1-8-18-11-9-10-12-19(18)13-14-20(15(2)3,16(4)5)17(6)7/h1,15-17H,9-12H2,2-7H3
InChIKeyMACUAZKFAPGRST-UHFFFAOYSA-N
MW286.53 g/mol
LogP5.71
Rot. Bonds3

About 2-(2-ethynylcyclohexen-1-yl)ethynyl-tri(propan-2-yl)silane

2-(2-ethynylcyclohexen-1-yl)ethynyl-tri(propan-2-yl)silane (PubChem CID 25139239) has the molecular formula C19H30Si and a molecular weight of 286.53 g/mol. Its IUPAC name is 2-(2-ethynylcyclohexen-1-yl)ethynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-(2-ethynylcyclohexen-1-yl)ethynyl-tri(propan-2-yl)silane
PubChem CID25139239
Molecular FormulaC19H30Si
Molecular Weight286.53 g/mol
Exact Mass286.21
IUPAC Name2-(2-ethynylcyclohexen-1-yl)ethynyl-tri(propan-2-yl)silane
SMILESC#CC1=C(C#C[Si](C(C)C)(C(C)C)C(C)C)CCCC1
InChIInChI=1S/C19H30Si/c1-8-18-11-9-10-12-19(18)13-14-20(15(2)3,16(4)5)17(6)7/h1,15-17H,9-12H2,2-7H3
InChIKeyMACUAZKFAPGRST-UHFFFAOYSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.53
LogP ≤ 55.71
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'}

Analyze 2-(2-ethynylcyclohexen-1-yl)ethynyl-tri(propan-2-yl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Cyclohexen-1-yl)ethynyl-tri(propan-2-yl)silane
CID 101856172
Trimethyl-[3-(2-trimethylsilylethynyl)tridec-3-en-1-ynyl]silane
CID 85843910
Trimethyl-[2-(2-methyl-4-methylidenecyclohexen-1-yl)ethynyl]silane
CID 123529811
trimethyl-[2-[(5R)-2-methyl-4-methylidene-5-tritiocyclohexen-1-yl]ethynyl]silane
CID 140605683
5-(Cyclohexen-1-yl)pent-1-ynyl-dimethylsilane
CID 149843515
2-(Cyclohexen-1-yl)ethynyl-triethylsilane;1-ethynylcyclohexene
CID 163611138
[(Z)-3-butyl-4-ethyldec-3-en-1,5-diynyl]-trimethylsilane
CID 10017015
Trimethyl-(2-pentylcyclohexen-1-yl)silane
CID 10443628
2-[(1Z)-cyclododecen-1-yl]ethynyl-trimethylsilane
CID 10515650
(3-Cyclohexylidene-5-trimethylsilylpenta-1,4-diynyl)-trimethylsilane
CID 10684806
trimethyl-[(Z)-3-methyltridec-3-en-1-ynyl]silane
CID 10706775
2-(2-Hexylcyclobuten-1-yl)ethynyl-trimethylsilane
CID 10944395

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethynylcyclohexen-1-yl)ethynyl-tri(propan-2-yl)silane?
The IUPAC name of 2-(2-ethynylcyclohexen-1-yl)ethynyl-tri(propan-2-yl)silane (CID 25139239) is 2-(2-ethynylcyclohexen-1-yl)ethynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-(2-ethynylcyclohexen-1-yl)ethynyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-(2-ethynylcyclohexen-1-yl)ethynyl-tri(propan-2-yl)silane is C#CC1=C(C#C[Si](C(C)C)(C(C)C)C(C)C)CCCC1.
What is the InChIKey of 2-(2-ethynylcyclohexen-1-yl)ethynyl-tri(propan-2-yl)silane?
The InChIKey is MACUAZKFAPGRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30Si/c1-8-18-11-9-10-12-19(18)13-14-20(15(2)3,16(4)5)17(6)7/h1,15-17H,9-12H2,2-7H3.
What are the key properties of 2-(2-ethynylcyclohexen-1-yl)ethynyl-tri(propan-2-yl)silane?
2-(2-ethynylcyclohexen-1-yl)ethynyl-tri(propan-2-yl)silane has a molecular weight of 286.53 g/mol, XLogP of 5.71, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethynylcyclohexen-1-yl)ethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 25139239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).