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

C33H60Si2 — CID 101212828

IUPAC[5-butyl-3-[2-tri(propan-2-yl)silylethynyl]nona-3,4-dien-1-ynyl]-tri(propan-2-yl)silane
SMILESCCCCC(=C=C(C#C[Si](C(C)C)(C(C)C)C(C)C)C#C[Si](C(C)C)(C(C)C)C(C)C)CCCC
InChIInChI=1S/C33H60Si2/c1-15-17-19-32(20-18-16-2)25-33(21-23-34(26(3)4,27(5)6)28(7)8)22-24-35(29(9)10,30(11)12)31(13)14/h26-31H,15-20H2,1-14H3
InChIKeySAHWQIMSNLUNEU-UHFFFAOYSA-N
MW513.02 g/mol
LogP11.26
Rot. Bonds12

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

[5-butyl-3-[2-tri(propan-2-yl)silylethynyl]nona-3,4-dien-1-ynyl]-tri(propan-2-yl)silane (PubChem CID 101212828) has the molecular formula C33H60Si2 and a molecular weight of 513.02 g/mol. Its IUPAC name is [5-butyl-3-[2-tri(propan-2-yl)silylethynyl]nona-3,4-dien-1-ynyl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[5-butyl-3-[2-tri(propan-2-yl)silylethynyl]nona-3,4-dien-1-ynyl]-tri(propan-2-yl)silane
PubChem CID101212828
Molecular FormulaC33H60Si2
Molecular Weight513.02 g/mol
Exact Mass512.42
IUPAC Name[5-butyl-3-[2-tri(propan-2-yl)silylethynyl]nona-3,4-dien-1-ynyl]-tri(propan-2-yl)silane
SMILESCCCCC(=C=C(C#C[Si](C(C)C)(C(C)C)C(C)C)C#C[Si](C(C)C)(C(C)C)C(C)C)CCCC
InChIInChI=1S/C33H60Si2/c1-15-17-19-32(20-18-16-2)25-33(21-23-34(26(3)4,27(5)6)28(7)8)22-24-35(29(9)10,30(11)12)31(13)14/h26-31H,15-20H2,1-14H3
InChIKeySAHWQIMSNLUNEU-UHFFFAOYSA-N
XLogP11.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.02
LogP ≤ 511.26
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

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Dilithium;[3-[[dimethyl(pent-1-ynyl)silyl]methylidene]-2-propylhex-1-enyl]-dimethyl-pent-1-ynylsilane
CID 139249962
CID 139249964
CID 139249964
3-Methylideneundec-1-ynyl-tri(propan-2-yl)silane
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3-Methylideneoct-1-ynyl-tri(propan-2-yl)silane
CID 102322019
3-Methylidenedec-1-ynyl-tri(propan-2-yl)silane
CID 102322020
Trimethyl(3-methylidenetridec-1-ynyl)silane
CID 10730359
Trimethyl(3-methylidenedodec-1-ynyl)silane
CID 11565057
[3-Hexyl-5-[2-tri(propan-2-yl)silylethynyl]undeca-3,4-dien-1-ynyl]-tri(propan-2-yl)silane
CID 12027353
Trimethyl-[16-methyl-3-propan-2-ylidene-15-(2-trimethylsilylethynyl)heptadec-15-en-1,4,13-triynyl]silane
CID 15423862
6-Ethenylidenedec-1-ynyl(trimethyl)silane
CID 15828076

Frequently Asked Questions

What is the IUPAC name of [5-butyl-3-[2-tri(propan-2-yl)silylethynyl]nona-3,4-dien-1-ynyl]-tri(propan-2-yl)silane?
The IUPAC name of [5-butyl-3-[2-tri(propan-2-yl)silylethynyl]nona-3,4-dien-1-ynyl]-tri(propan-2-yl)silane (CID 101212828) is [5-butyl-3-[2-tri(propan-2-yl)silylethynyl]nona-3,4-dien-1-ynyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [5-butyl-3-[2-tri(propan-2-yl)silylethynyl]nona-3,4-dien-1-ynyl]-tri(propan-2-yl)silane?
The canonical SMILES for [5-butyl-3-[2-tri(propan-2-yl)silylethynyl]nona-3,4-dien-1-ynyl]-tri(propan-2-yl)silane is CCCCC(=C=C(C#C[Si](C(C)C)(C(C)C)C(C)C)C#C[Si](C(C)C)(C(C)C)C(C)C)CCCC.
What is the InChIKey of [5-butyl-3-[2-tri(propan-2-yl)silylethynyl]nona-3,4-dien-1-ynyl]-tri(propan-2-yl)silane?
The InChIKey is SAHWQIMSNLUNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H60Si2/c1-15-17-19-32(20-18-16-2)25-33(21-23-34(26(3)4,27(5)6)28(7)8)22-24-35(29(9)10,30(11)12)31(13)14/h26-31H,15-20H2,1-14H3.
What are the key properties of [5-butyl-3-[2-tri(propan-2-yl)silylethynyl]nona-3,4-dien-1-ynyl]-tri(propan-2-yl)silane?
[5-butyl-3-[2-tri(propan-2-yl)silylethynyl]nona-3,4-dien-1-ynyl]-tri(propan-2-yl)silane has a molecular weight of 513.02 g/mol, XLogP of 11.26, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [5-butyl-3-[2-tri(propan-2-yl)silylethynyl]nona-3,4-dien-1-ynyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 101212828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).