(4-cyclohexyl-3-methylidenepent-1-ynyl)-tri(propan-2-yl)silane

C21H38Si — CID 102235452

IUPAC(4-cyclohexyl-3-methylidenepent-1-ynyl)-tri(propan-2-yl)silane
SMILESC=C(C#C[Si](C(C)C)(C(C)C)C(C)C)C(C)C1CCCCC1
InChIInChI=1S/C21H38Si/c1-16(2)22(17(3)4,18(5)6)15-14-19(7)20(8)21-12-10-9-11-13-21/h16-18,20-21H,7,9-13H2,1-6,8H3
InChIKeyLYDNLXLJMUEQIH-UHFFFAOYSA-N
MW318.62 g/mol
LogP6.98
Rot. Bonds5

About (4-cyclohexyl-3-methylidenepent-1-ynyl)-tri(propan-2-yl)silane

(4-cyclohexyl-3-methylidenepent-1-ynyl)-tri(propan-2-yl)silane (PubChem CID 102235452) has the molecular formula C21H38Si and a molecular weight of 318.62 g/mol. Its IUPAC name is (4-cyclohexyl-3-methylidenepent-1-ynyl)-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(4-cyclohexyl-3-methylidenepent-1-ynyl)-tri(propan-2-yl)silane
PubChem CID102235452
Molecular FormulaC21H38Si
Molecular Weight318.62 g/mol
Exact Mass318.27
IUPAC Name(4-cyclohexyl-3-methylidenepent-1-ynyl)-tri(propan-2-yl)silane
SMILESC=C(C#C[Si](C(C)C)(C(C)C)C(C)C)C(C)C1CCCCC1
InChIInChI=1S/C21H38Si/c1-16(2)22(17(3)4,18(5)6)15-14-19(7)20(8)21-12-10-9-11-13-21/h16-18,20-21H,7,9-13H2,1-6,8H3
InChIKeyLYDNLXLJMUEQIH-UHFFFAOYSA-N
XLogP6.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.62
LogP ≤ 56.98
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
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
[(Z)-3-(cyclohexylmethyl)undec-3-en-1-ynyl]-trimethylsilane
CID 150454688
[(3E)-3-(cyclohexylmethylidene)undec-1-ynyl]-trimethylsilane
CID 153984739
3-(Cyclohexylmethylidene)undec-1-ynyl-trimethylsilane
CID 174858692
3-(Cyclohexylmethyl)undec-3-en-1-ynyl-trimethylsilane
CID 174858693
[(3Z)-5-cyclohexyl-3-methylocta-3,7-dien-1-ynyl]-trimethylsilane
CID 11033074
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
5-[(1S,5S)-5-tert-butyl-2-ethenylidenecyclohexyl]pent-1-ynyl-trimethylsilane
CID 44520658

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexyl-3-methylidenepent-1-ynyl)-tri(propan-2-yl)silane?
The IUPAC name of (4-cyclohexyl-3-methylidenepent-1-ynyl)-tri(propan-2-yl)silane (CID 102235452) is (4-cyclohexyl-3-methylidenepent-1-ynyl)-tri(propan-2-yl)silane.
What is the SMILES notation for (4-cyclohexyl-3-methylidenepent-1-ynyl)-tri(propan-2-yl)silane?
The canonical SMILES for (4-cyclohexyl-3-methylidenepent-1-ynyl)-tri(propan-2-yl)silane is C=C(C#C[Si](C(C)C)(C(C)C)C(C)C)C(C)C1CCCCC1.
What is the InChIKey of (4-cyclohexyl-3-methylidenepent-1-ynyl)-tri(propan-2-yl)silane?
The InChIKey is LYDNLXLJMUEQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38Si/c1-16(2)22(17(3)4,18(5)6)15-14-19(7)20(8)21-12-10-9-11-13-21/h16-18,20-21H,7,9-13H2,1-6,8H3.
What are the key properties of (4-cyclohexyl-3-methylidenepent-1-ynyl)-tri(propan-2-yl)silane?
(4-cyclohexyl-3-methylidenepent-1-ynyl)-tri(propan-2-yl)silane has a molecular weight of 318.62 g/mol, XLogP of 6.98, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexyl-3-methylidenepent-1-ynyl)-tri(propan-2-yl)silane is sourced from PubChem (CID 102235452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).