[3-hexyl-5-[2-tri(propan-2-yl)silylethynyl]undeca-3,4-dien-1-ynyl]-tri(propan-2-yl)silane

C37H68Si2 — CID 12027353

IUPAC[3-hexyl-5-[2-tri(propan-2-yl)silylethynyl]undeca-3,4-dien-1-ynyl]-tri(propan-2-yl)silane
SMILESCCCCCCC(=C=C(C#C[Si](C(C)C)(C(C)C)C(C)C)CCCCCC)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C37H68Si2/c1-15-17-19-21-23-36(25-27-38(30(3)4,31(5)6)32(7)8)29-37(24-22-20-18-16-2)26-28-39(33(9)10,34(11)12)35(13)14/h30-35H,15-24H2,1-14H3
InChIKeyNFNYSUHFZBQOTI-UHFFFAOYSA-N
MW569.12 g/mol
LogP12.82
Rot. Bonds16

About [3-hexyl-5-[2-tri(propan-2-yl)silylethynyl]undeca-3,4-dien-1-ynyl]-tri(propan-2-yl)silane

[3-hexyl-5-[2-tri(propan-2-yl)silylethynyl]undeca-3,4-dien-1-ynyl]-tri(propan-2-yl)silane (PubChem CID 12027353) has the molecular formula C37H68Si2 and a molecular weight of 569.12 g/mol. Its IUPAC name is [3-hexyl-5-[2-tri(propan-2-yl)silylethynyl]undeca-3,4-dien-1-ynyl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[3-hexyl-5-[2-tri(propan-2-yl)silylethynyl]undeca-3,4-dien-1-ynyl]-tri(propan-2-yl)silane
PubChem CID12027353
Molecular FormulaC37H68Si2
Molecular Weight569.12 g/mol
Exact Mass568.49
IUPAC Name[3-hexyl-5-[2-tri(propan-2-yl)silylethynyl]undeca-3,4-dien-1-ynyl]-tri(propan-2-yl)silane
SMILESCCCCCCC(=C=C(C#C[Si](C(C)C)(C(C)C)C(C)C)CCCCCC)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C37H68Si2/c1-15-17-19-21-23-36(25-27-38(30(3)4,31(5)6)32(7)8)29-37(24-22-20-18-16-2)26-28-39(33(9)10,34(11)12)35(13)14/h30-35H,15-24H2,1-14H3
InChIKeyNFNYSUHFZBQOTI-UHFFFAOYSA-N
XLogP12.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.12
LogP ≤ 512.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 139249962
CID 139249964
CID 139249964
3-Methylideneundec-1-ynyl-tri(propan-2-yl)silane
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3-Methylidenedec-1-ynyl-tri(propan-2-yl)silane
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Trimethyl(3-methylidenetridec-1-ynyl)silane
CID 10730359
Trimethyl(3-methylidenedodec-1-ynyl)silane
CID 11565057
Trimethyl-[16-methyl-3-propan-2-ylidene-15-(2-trimethylsilylethynyl)heptadec-15-en-1,4,13-triynyl]silane
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Triethyl(3-methylidenenon-1-ynyl)silane
CID 24741057

Frequently Asked Questions

What is the IUPAC name of [3-hexyl-5-[2-tri(propan-2-yl)silylethynyl]undeca-3,4-dien-1-ynyl]-tri(propan-2-yl)silane?
The IUPAC name of [3-hexyl-5-[2-tri(propan-2-yl)silylethynyl]undeca-3,4-dien-1-ynyl]-tri(propan-2-yl)silane (CID 12027353) is [3-hexyl-5-[2-tri(propan-2-yl)silylethynyl]undeca-3,4-dien-1-ynyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [3-hexyl-5-[2-tri(propan-2-yl)silylethynyl]undeca-3,4-dien-1-ynyl]-tri(propan-2-yl)silane?
The canonical SMILES for [3-hexyl-5-[2-tri(propan-2-yl)silylethynyl]undeca-3,4-dien-1-ynyl]-tri(propan-2-yl)silane is CCCCCCC(=C=C(C#C[Si](C(C)C)(C(C)C)C(C)C)CCCCCC)C#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [3-hexyl-5-[2-tri(propan-2-yl)silylethynyl]undeca-3,4-dien-1-ynyl]-tri(propan-2-yl)silane?
The InChIKey is NFNYSUHFZBQOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H68Si2/c1-15-17-19-21-23-36(25-27-38(30(3)4,31(5)6)32(7)8)29-37(24-22-20-18-16-2)26-28-39(33(9)10,34(11)12)35(13)14/h30-35H,15-24H2,1-14H3.
What are the key properties of [3-hexyl-5-[2-tri(propan-2-yl)silylethynyl]undeca-3,4-dien-1-ynyl]-tri(propan-2-yl)silane?
[3-hexyl-5-[2-tri(propan-2-yl)silylethynyl]undeca-3,4-dien-1-ynyl]-tri(propan-2-yl)silane has a molecular weight of 569.12 g/mol, XLogP of 12.82, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hexyl-5-[2-tri(propan-2-yl)silylethynyl]undeca-3,4-dien-1-ynyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 12027353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).