3,5-bis(2-methoxypropan-2-yl)hepta-3,4-dien-1,6-diynyl-tri(propan-2-yl)silane

C24H40O2Si — CID 16754078

IUPAC3,5-bis(2-methoxypropan-2-yl)hepta-3,4-dien-1,6-diynyl-tri(propan-2-yl)silane
SMILESC#CC(=C=C(C#C[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)OC)C(C)(C)OC
InChIInChI=1S/C24H40O2Si/c1-14-21(23(8,9)25-12)17-22(24(10,11)26-13)15-16-27(18(2)3,19(4)5)20(6)7/h1,18-20H,2-13H3
InChIKeyBVBBTVFDTODNFG-UHFFFAOYSA-N
MW388.67 g/mol
LogP6.14
Rot. Bonds7

About 3,5-bis(2-methoxypropan-2-yl)hepta-3,4-dien-1,6-diynyl-tri(propan-2-yl)silane

3,5-bis(2-methoxypropan-2-yl)hepta-3,4-dien-1,6-diynyl-tri(propan-2-yl)silane (PubChem CID 16754078) has the molecular formula C24H40O2Si and a molecular weight of 388.67 g/mol. Its IUPAC name is 3,5-bis(2-methoxypropan-2-yl)hepta-3,4-dien-1,6-diynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name3,5-bis(2-methoxypropan-2-yl)hepta-3,4-dien-1,6-diynyl-tri(propan-2-yl)silane
PubChem CID16754078
Molecular FormulaC24H40O2Si
Molecular Weight388.67 g/mol
Exact Mass388.28
IUPAC Name3,5-bis(2-methoxypropan-2-yl)hepta-3,4-dien-1,6-diynyl-tri(propan-2-yl)silane
SMILESC#CC(=C=C(C#C[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)OC)C(C)(C)OC
InChIInChI=1S/C24H40O2Si/c1-14-21(23(8,9)25-12)17-22(24(10,11)26-13)15-16-27(18(2)3,19(4)5)20(6)7/h1,18-20H,2-13H3
InChIKeyBVBBTVFDTODNFG-UHFFFAOYSA-N
XLogP6.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.67
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

[(Z)-3,4-diethynyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 14937102
tert-butyl-[3-ethynyl-5-(2-methoxypropan-2-yl)-2-methylhepta-3,4-dien-6-yn-2-yl]oxy-dimethylsilane
CID 16754076
[(3E,9E)-3,10-diethynyl-12-tri(propan-2-yl)silyl-4,9-bis[2-tri(propan-2-yl)silylethynyl]dodeca-3,9-dien-1,5,7,11-tetraynyl]-tri(propan-2-yl)silane
CID 101098365
[3,4-bis[2-[tert-butyl(dimethyl)silyl]ethynyl]-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 4712639
CID 101008098
CID 101008098
[3-ethynyl-6-phenyl-4-(2-phenylethynyl)hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 14935770
buta-1,3-diynyl-tri(propan-2-yl)silane
CID 11790402
3,3-dimethylbut-1-ynyl-tri(propan-2-yl)silane
CID 140906962
(4R,6R)-2,5,5-trimethyl-6-[3-tri(propan-2-yl)silylprop-2-ynoxy]oct-7-yn-4-ol
CID 11337931
(3S)-1-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol
CID 138981118
4-tri(propan-2-yl)silylbut-3-yn-1-ol
CID 10609315
3-N,4-N-bis(4-methoxyphenyl)-1,6-bis[tri(propan-2-yl)silyl]hexa-1,5-diyne-3,4-diimine
CID 15417782

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2-methoxypropan-2-yl)hepta-3,4-dien-1,6-diynyl-tri(propan-2-yl)silane?
The IUPAC name of 3,5-bis(2-methoxypropan-2-yl)hepta-3,4-dien-1,6-diynyl-tri(propan-2-yl)silane (CID 16754078) is 3,5-bis(2-methoxypropan-2-yl)hepta-3,4-dien-1,6-diynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 3,5-bis(2-methoxypropan-2-yl)hepta-3,4-dien-1,6-diynyl-tri(propan-2-yl)silane?
The canonical SMILES for 3,5-bis(2-methoxypropan-2-yl)hepta-3,4-dien-1,6-diynyl-tri(propan-2-yl)silane is C#CC(=C=C(C#C[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)OC)C(C)(C)OC.
What is the InChIKey of 3,5-bis(2-methoxypropan-2-yl)hepta-3,4-dien-1,6-diynyl-tri(propan-2-yl)silane?
The InChIKey is BVBBTVFDTODNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O2Si/c1-14-21(23(8,9)25-12)17-22(24(10,11)26-13)15-16-27(18(2)3,19(4)5)20(6)7/h1,18-20H,2-13H3.
What are the key properties of 3,5-bis(2-methoxypropan-2-yl)hepta-3,4-dien-1,6-diynyl-tri(propan-2-yl)silane?
3,5-bis(2-methoxypropan-2-yl)hepta-3,4-dien-1,6-diynyl-tri(propan-2-yl)silane has a molecular weight of 388.67 g/mol, XLogP of 6.14, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2-methoxypropan-2-yl)hepta-3,4-dien-1,6-diynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 16754078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).