4-(2-methylidenecyclopentyl)but-1-ynoxy-tri(propan-2-yl)silane

C19H34OSi — CID 11324238

IUPAC4-(2-methylidenecyclopentyl)but-1-ynoxy-tri(propan-2-yl)silane
SMILESC=C1CCCC1CCC#CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H34OSi/c1-15(2)21(16(3)4,17(5)6)20-14-9-8-12-19-13-10-11-18(19)7/h15-17,19H,7-8,10-13H2,1-6H3
InChIKeyVBAAJMMDEIMKQE-UHFFFAOYSA-N
MW306.57 g/mol
LogP6.28
Rot. Bonds6

About 4-(2-methylidenecyclopentyl)but-1-ynoxy-tri(propan-2-yl)silane

4-(2-methylidenecyclopentyl)but-1-ynoxy-tri(propan-2-yl)silane (PubChem CID 11324238) has the molecular formula C19H34OSi and a molecular weight of 306.57 g/mol. Its IUPAC name is 4-(2-methylidenecyclopentyl)but-1-ynoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name4-(2-methylidenecyclopentyl)but-1-ynoxy-tri(propan-2-yl)silane
PubChem CID11324238
Molecular FormulaC19H34OSi
Molecular Weight306.57 g/mol
Exact Mass306.24
IUPAC Name4-(2-methylidenecyclopentyl)but-1-ynoxy-tri(propan-2-yl)silane
SMILESC=C1CCCC1CCC#CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H34OSi/c1-15(2)21(16(3)4,17(5)6)20-14-9-8-12-19-13-10-11-18(19)7/h15-17,19H,7-8,10-13H2,1-6H3
InChIKeyVBAAJMMDEIMKQE-UHFFFAOYSA-N
XLogP6.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.57
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tri(propan-2-yl)-[(3S)-3-prop-2-enylhept-1-ynoxy]silane
CID 10968867
[3-Methyl-3-(2-methylprop-2-enyl)oct-7-en-1-ynoxy]-tri(propan-2-yl)silane
CID 11405343
Trimethyl-[2-methylidene-4-[2-tri(propan-2-yl)silyloxyethynyl]heptyl]silane
CID 11474488
[(5-Methyl-3-propylhex-5-en-1-yn-1-yl)oxy]tri(propan-2-yl)silane
CID 71403487
[3-Methyl-3-(2-methylprop-2-enyl)oct-1-ynoxy]-tri(propan-2-yl)silane
CID 101352755
[(E)-5-methyl-3-propylhept-5-en-1-ynoxy]-tri(propan-2-yl)silane
CID 11427268
ditert-butyl-methoxy-[(1S)-2-methyl-1-[(1S,3R)-3-methylcyclopentyl]prop-2-enyl]silane
CID 44255400
[(5-Methyl-3-propylhept-5-en-1-yn-1-yl)oxy]tri(propan-2-yl)silane
CID 71403205
tri(propan-2-yl)-[(3R,4R)-3,4,5-trimethylhex-5-en-1-ynoxy]silane
CID 101352754
3,5-Dimethylhex-5-en-1-ynoxy-tri(propan-2-yl)silane
CID 102289114
ditert-butyl-methoxy-[2-methyl-1-[(1S,3R)-3-methylcyclopentyl]prop-2-enyl]silane
CID 102597574

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylidenecyclopentyl)but-1-ynoxy-tri(propan-2-yl)silane?
The IUPAC name of 4-(2-methylidenecyclopentyl)but-1-ynoxy-tri(propan-2-yl)silane (CID 11324238) is 4-(2-methylidenecyclopentyl)but-1-ynoxy-tri(propan-2-yl)silane.
What is the SMILES notation for 4-(2-methylidenecyclopentyl)but-1-ynoxy-tri(propan-2-yl)silane?
The canonical SMILES for 4-(2-methylidenecyclopentyl)but-1-ynoxy-tri(propan-2-yl)silane is C=C1CCCC1CCC#CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 4-(2-methylidenecyclopentyl)but-1-ynoxy-tri(propan-2-yl)silane?
The InChIKey is VBAAJMMDEIMKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34OSi/c1-15(2)21(16(3)4,17(5)6)20-14-9-8-12-19-13-10-11-18(19)7/h15-17,19H,7-8,10-13H2,1-6H3.
What are the key properties of 4-(2-methylidenecyclopentyl)but-1-ynoxy-tri(propan-2-yl)silane?
4-(2-methylidenecyclopentyl)but-1-ynoxy-tri(propan-2-yl)silane has a molecular weight of 306.57 g/mol, XLogP of 6.28, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylidenecyclopentyl)but-1-ynoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11324238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).