3,5-dibutylnona-3,4-dien-1-ynyl-tri(propan-2-yl)silane

C26H48Si — CID 86216613

IUPAC3,5-dibutylnona-3,4-dien-1-ynyl-tri(propan-2-yl)silane
SMILESCCCCC(=C=C(CCCC)CCCC)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C26H48Si/c1-10-13-16-25(17-14-11-2)21-26(18-15-12-3)19-20-27(22(4)5,23(6)7)24(8)9/h22-24H,10-18H2,1-9H3
InChIKeyPKCOTQAEDINQOF-UHFFFAOYSA-N
MW388.76 g/mol
LogP9.23
Rot. Bonds12

About 3,5-dibutylnona-3,4-dien-1-ynyl-tri(propan-2-yl)silane

3,5-dibutylnona-3,4-dien-1-ynyl-tri(propan-2-yl)silane (PubChem CID 86216613) has the molecular formula C26H48Si and a molecular weight of 388.76 g/mol. Its IUPAC name is 3,5-dibutylnona-3,4-dien-1-ynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name3,5-dibutylnona-3,4-dien-1-ynyl-tri(propan-2-yl)silane
PubChem CID86216613
Molecular FormulaC26H48Si
Molecular Weight388.76 g/mol
Exact Mass388.35
IUPAC Name3,5-dibutylnona-3,4-dien-1-ynyl-tri(propan-2-yl)silane
SMILESCCCCC(=C=C(CCCC)CCCC)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C26H48Si/c1-10-13-16-25(17-14-11-2)21-26(18-15-12-3)19-20-27(22(4)5,23(6)7)24(8)9/h22-24H,10-18H2,1-9H3
InChIKeyPKCOTQAEDINQOF-UHFFFAOYSA-N
XLogP9.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.76
LogP ≤ 59.23
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

Triisopropyl(3-methylenenon-1-yn-1-yl)silane
CID 102088940
3-Butylocta-1,2-dien-7-ynyl(trimethyl)silane
CID 10704881
Hexadeca-6,7-dien-1-ynyl(trimethyl)silane
CID 11109061
Trimethyl(pentadeca-6,7-dien-1-ynyl)silane
CID 11780808
Trimethyl(2-methylidenedodecyl)silane
CID 16046669
(1,1-Dimethyl-3,4-dipropylsilol-2-yl)-dimethyl-pent-1-ynylsilane
CID 44156048
2-Cyclododecylideneethenyl(trimethyl)silane
CID 51350028
2-Cyclopentadecylideneethenyl(trimethyl)silane
CID 51350029
Triethyl(3-methylidenenonyl)silane
CID 101564537
Dilithium;[3-[[dimethyl(pent-1-ynyl)silyl]methylidene]-2-propylhex-1-enyl]-dimethyl-pent-1-ynylsilane
CID 139249962
CID 139249964
CID 139249964
Triethyl(3-methylnona-1,2-dienyl)silane
CID 176427666

Frequently Asked Questions

What is the IUPAC name of 3,5-dibutylnona-3,4-dien-1-ynyl-tri(propan-2-yl)silane?
The IUPAC name of 3,5-dibutylnona-3,4-dien-1-ynyl-tri(propan-2-yl)silane (CID 86216613) is 3,5-dibutylnona-3,4-dien-1-ynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 3,5-dibutylnona-3,4-dien-1-ynyl-tri(propan-2-yl)silane?
The canonical SMILES for 3,5-dibutylnona-3,4-dien-1-ynyl-tri(propan-2-yl)silane is CCCCC(=C=C(CCCC)CCCC)C#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 3,5-dibutylnona-3,4-dien-1-ynyl-tri(propan-2-yl)silane?
The InChIKey is PKCOTQAEDINQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48Si/c1-10-13-16-25(17-14-11-2)21-26(18-15-12-3)19-20-27(22(4)5,23(6)7)24(8)9/h22-24H,10-18H2,1-9H3.
What are the key properties of 3,5-dibutylnona-3,4-dien-1-ynyl-tri(propan-2-yl)silane?
3,5-dibutylnona-3,4-dien-1-ynyl-tri(propan-2-yl)silane has a molecular weight of 388.76 g/mol, XLogP of 9.23, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibutylnona-3,4-dien-1-ynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 86216613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).