trimethyl-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]silane

C20H30Si — CID 21480252

IUPACtrimethyl-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]silane
SMILESCCCC1CCC(c2ccc(C#C[Si](C)(C)C)cc2)CC1
InChIInChI=1S/C20H30Si/c1-5-6-17-7-11-19(12-8-17)20-13-9-18(10-14-20)15-16-21(2,3)4/h9-10,13-14,17,19H,5-8,11-12H2,1-4H3
InChIKeyGWKNPFABMBPSKR-UHFFFAOYSA-N
MW298.55 g/mol
LogP5.99
Rot. Bonds3

About trimethyl-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]silane

trimethyl-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]silane (PubChem CID 21480252) has the molecular formula C20H30Si and a molecular weight of 298.55 g/mol. Its IUPAC name is trimethyl-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]silane
PubChem CID21480252
Molecular FormulaC20H30Si
Molecular Weight298.55 g/mol
Exact Mass298.21
IUPAC Nametrimethyl-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]silane
SMILESCCCC1CCC(c2ccc(C#C[Si](C)(C)C)cc2)CC1
InChIInChI=1S/C20H30Si/c1-5-6-17-7-11-19(12-8-17)20-13-9-18(10-14-20)15-16-21(2,3)4/h9-10,13-14,17,19H,5-8,11-12H2,1-4H3
InChIKeyGWKNPFABMBPSKR-UHFFFAOYSA-N
XLogP5.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.55
LogP ≤ 55.99
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

1-(2-iodoethynyl)-4-(4-propylcyclohexyl)benzene
CID 22123958
1-(2-chloroethynyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 19777678
5-[4-(4-propylcyclohexyl)phenyl]penta-2,4-diynenitrile
CID 22123959
1-methyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene
CID 20683446
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
1-ethoxy-4-[4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]phenyl]benzene
CID 67864703
(4-propylcyclohexyl)benzene
CID 155887669
5,21-bis[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene
CID 140923388
1-fluoro-4-[2-[4-(4-pentylcyclohexyl)phenyl]ethynyl]benzene
CID 2189527
1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenoxy]benzene
CID 19700194
1,3-dichloro-2-isothiocyanato-5-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]benzene
CID 170414502
1-(4-butylcyclohexyl)-4-[2-(4-ethoxyphenyl)ethynyl]benzene
CID 23391128

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]silane (CID 21480252) is trimethyl-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]silane is CCCC1CCC(c2ccc(C#C[Si](C)(C)C)cc2)CC1.
What is the InChIKey of trimethyl-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]silane?
The InChIKey is GWKNPFABMBPSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30Si/c1-5-6-17-7-11-19(12-8-17)20-13-9-18(10-14-20)15-16-21(2,3)4/h9-10,13-14,17,19H,5-8,11-12H2,1-4H3.
What are the key properties of trimethyl-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]silane?
trimethyl-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]silane has a molecular weight of 298.55 g/mol, XLogP of 5.99, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]silane is sourced from PubChem (CID 21480252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).