[1-(2,3-dibutylcycloprop-2-en-1-yl)cyclopropyl]oxy-tri(propan-2-yl)silane

C23H44OSi — CID 135075231

IUPAC[1-(2,3-dibutylcycloprop-2-en-1-yl)cyclopropyl]oxy-tri(propan-2-yl)silane
SMILESCCCCC1=C(CCCC)C1C1(O[Si](C(C)C)(C(C)C)C(C)C)CC1
InChIInChI=1S/C23H44OSi/c1-9-11-13-20-21(14-12-10-2)22(20)23(15-16-23)24-25(17(3)4,18(5)6)19(7)8/h17-19,22H,9-16H2,1-8H3
InChIKeyILGBKVJLFJJDSL-UHFFFAOYSA-N
MW364.69 g/mol
LogP8.02
Rot. Bonds12

About [1-(2,3-dibutylcycloprop-2-en-1-yl)cyclopropyl]oxy-tri(propan-2-yl)silane

[1-(2,3-dibutylcycloprop-2-en-1-yl)cyclopropyl]oxy-tri(propan-2-yl)silane (PubChem CID 135075231) has the molecular formula C23H44OSi and a molecular weight of 364.69 g/mol. Its IUPAC name is [1-(2,3-dibutylcycloprop-2-en-1-yl)cyclopropyl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[1-(2,3-dibutylcycloprop-2-en-1-yl)cyclopropyl]oxy-tri(propan-2-yl)silane
PubChem CID135075231
Molecular FormulaC23H44OSi
Molecular Weight364.69 g/mol
Exact Mass364.32
IUPAC Name[1-(2,3-dibutylcycloprop-2-en-1-yl)cyclopropyl]oxy-tri(propan-2-yl)silane
SMILESCCCCC1=C(CCCC)C1C1(O[Si](C(C)C)(C(C)C)C(C)C)CC1
InChIInChI=1S/C23H44OSi/c1-9-11-13-20-21(14-12-10-2)22(20)23(15-16-23)24-25(17(3)4,18(5)6)19(7)8/h17-19,22H,9-16H2,1-8H3
InChIKeyILGBKVJLFJJDSL-UHFFFAOYSA-N
XLogP8.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.69
LogP ≤ 58.02
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'}

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Related Compounds

tert-butyl-[(5R,6R)-6-deuterio-5-methyl-2-propan-2-ylcyclohexen-1-yl]oxy-dimethylsilane
CID 10516145
tert-butyl-[[(1R,2S)-2,7-dimethyl-2-bicyclo[4.3.1]dec-6-enyl]oxy]-dimethylsilane
CID 10957377
tert-butyl-dimethyl-[(5R)-2-methyl-5-propan-2-ylcyclohexen-1-yl]oxysilane
CID 11334692
tert-butyl-dimethyl-[(5R)-5-methyl-2-propan-2-ylcyclohexen-1-yl]oxysilane
CID 100917081
[(5R)-2-methyl-5-propan-2-ylcyclohexen-1-yl]oxy-tri(propan-2-yl)silane
CID 100949303

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dibutylcycloprop-2-en-1-yl)cyclopropyl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [1-(2,3-dibutylcycloprop-2-en-1-yl)cyclopropyl]oxy-tri(propan-2-yl)silane (CID 135075231) is [1-(2,3-dibutylcycloprop-2-en-1-yl)cyclopropyl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [1-(2,3-dibutylcycloprop-2-en-1-yl)cyclopropyl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [1-(2,3-dibutylcycloprop-2-en-1-yl)cyclopropyl]oxy-tri(propan-2-yl)silane is CCCCC1=C(CCCC)C1C1(O[Si](C(C)C)(C(C)C)C(C)C)CC1.
What is the InChIKey of [1-(2,3-dibutylcycloprop-2-en-1-yl)cyclopropyl]oxy-tri(propan-2-yl)silane?
The InChIKey is ILGBKVJLFJJDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44OSi/c1-9-11-13-20-21(14-12-10-2)22(20)23(15-16-23)24-25(17(3)4,18(5)6)19(7)8/h17-19,22H,9-16H2,1-8H3.
What are the key properties of [1-(2,3-dibutylcycloprop-2-en-1-yl)cyclopropyl]oxy-tri(propan-2-yl)silane?
[1-(2,3-dibutylcycloprop-2-en-1-yl)cyclopropyl]oxy-tri(propan-2-yl)silane has a molecular weight of 364.69 g/mol, XLogP of 8.02, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dibutylcycloprop-2-en-1-yl)cyclopropyl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 135075231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).