2-[(4R,5R)-2,2-dimethyl-4,5-bis(propa-1,2-dienyl)-5-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]ethynyl-tri(propan-2-yl)silane

C33H54O2Si2 — CID 101237056

IUPAC2-[(4R,5R)-2,2-dimethyl-4,5-bis(propa-1,2-dienyl)-5-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]ethynyl-tri(propan-2-yl)silane
SMILESC=C=C[C@]1(C#C[Si](C(C)C)(C(C)C)C(C)C)OC(C)(C)O[C@@]1(C#C[Si](C(C)C)(C(C)C)C(C)C)C=C=C
InChIInChI=1S/C33H54O2Si2/c1-17-19-32(21-23-36(25(3)4,26(5)6)27(7)8)33(20-18-2,35-31(15,16)34-32)22-24-37(28(9)10,29(11)12)30(13)14/h19-20,25-30H,1-2H2,3-16H3/t32-,33-/m1/s1
InChIKeyAOMDILMBBXACLF-CZNDPXEESA-N
MW538.97 g/mol
LogP9.37
Rot. Bonds8

About 2-[(4R,5R)-2,2-dimethyl-4,5-bis(propa-1,2-dienyl)-5-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]ethynyl-tri(propan-2-yl)silane

2-[(4R,5R)-2,2-dimethyl-4,5-bis(propa-1,2-dienyl)-5-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]ethynyl-tri(propan-2-yl)silane (PubChem CID 101237056) has the molecular formula C33H54O2Si2 and a molecular weight of 538.97 g/mol. Its IUPAC name is 2-[(4R,5R)-2,2-dimethyl-4,5-bis(propa-1,2-dienyl)-5-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]ethynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-[(4R,5R)-2,2-dimethyl-4,5-bis(propa-1,2-dienyl)-5-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]ethynyl-tri(propan-2-yl)silane
PubChem CID101237056
Molecular FormulaC33H54O2Si2
Molecular Weight538.97 g/mol
Exact Mass538.37
IUPAC Name2-[(4R,5R)-2,2-dimethyl-4,5-bis(propa-1,2-dienyl)-5-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]ethynyl-tri(propan-2-yl)silane
SMILESC=C=C[C@]1(C#C[Si](C(C)C)(C(C)C)C(C)C)OC(C)(C)O[C@@]1(C#C[Si](C(C)C)(C(C)C)C(C)C)C=C=C
InChIInChI=1S/C33H54O2Si2/c1-17-19-32(21-23-36(25(3)4,26(5)6)27(7)8)33(20-18-2,35-31(15,16)34-32)22-24-37(28(9)10,29(11)12)30(13)14/h19-20,25-30H,1-2H2,3-16H3/t32-,33-/m1/s1
InChIKeyAOMDILMBBXACLF-CZNDPXEESA-N
XLogP9.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.97
LogP ≤ 59.37
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

2-[(4S,5S)-2,2-dimethyl-4,5-bis(propa-1,2-dienyl)-5-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]ethynyl-tri(propan-2-yl)silane
CID 101237057
2-[(4S,5S)-2-ethoxy-4,5-bis(propa-1,2-dienyl)-5-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]ethynyl-tri(propan-2-yl)silane
CID 11192145
2-[(4R,5R)-2-ethoxy-4,5-bis(propa-1,2-dienyl)-5-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]ethynyl-tri(propan-2-yl)silane
CID 101237058

Frequently Asked Questions

What is the IUPAC name of 2-[(4R,5R)-2,2-dimethyl-4,5-bis(propa-1,2-dienyl)-5-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]ethynyl-tri(propan-2-yl)silane?
The IUPAC name of 2-[(4R,5R)-2,2-dimethyl-4,5-bis(propa-1,2-dienyl)-5-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]ethynyl-tri(propan-2-yl)silane (CID 101237056) is 2-[(4R,5R)-2,2-dimethyl-4,5-bis(propa-1,2-dienyl)-5-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]ethynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-[(4R,5R)-2,2-dimethyl-4,5-bis(propa-1,2-dienyl)-5-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]ethynyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-[(4R,5R)-2,2-dimethyl-4,5-bis(propa-1,2-dienyl)-5-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]ethynyl-tri(propan-2-yl)silane is C=C=C[C@]1(C#C[Si](C(C)C)(C(C)C)C(C)C)OC(C)(C)O[C@@]1(C#C[Si](C(C)C)(C(C)C)C(C)C)C=C=C.
What is the InChIKey of 2-[(4R,5R)-2,2-dimethyl-4,5-bis(propa-1,2-dienyl)-5-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]ethynyl-tri(propan-2-yl)silane?
The InChIKey is AOMDILMBBXACLF-CZNDPXEESA-N. The full InChI is InChI=1S/C33H54O2Si2/c1-17-19-32(21-23-36(25(3)4,26(5)6)27(7)8)33(20-18-2,35-31(15,16)34-32)22-24-37(28(9)10,29(11)12)30(13)14/h19-20,25-30H,1-2H2,3-16H3/t32-,33-/m1/s1.
What are the key properties of 2-[(4R,5R)-2,2-dimethyl-4,5-bis(propa-1,2-dienyl)-5-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]ethynyl-tri(propan-2-yl)silane?
2-[(4R,5R)-2,2-dimethyl-4,5-bis(propa-1,2-dienyl)-5-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]ethynyl-tri(propan-2-yl)silane has a molecular weight of 538.97 g/mol, XLogP of 9.37, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R,5R)-2,2-dimethyl-4,5-bis(propa-1,2-dienyl)-5-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]ethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 101237056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).