[(E)-3,4-dicyclopropyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane

C30H52Si2 — CID 11070688

IUPAC[(E)-3,4-dicyclopropyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#C/C(=C(/C#C[Si](C(C)C)(C(C)C)C(C)C)C1CC1)C1CC1)(C(C)C)C(C)C
InChIInChI=1S/C30H52Si2/c1-21(2)31(22(3)4,23(5)6)19-17-29(27-13-14-27)30(28-15-16-28)18-20-32(24(7)8,25(9)10)26(11)12/h21-28H,13-16H2,1-12H3/b30-29+
InChIKeyLILNHBUNJXXUTN-QVIHXGFCSA-N
MW468.92 g/mol
LogP9.55
Rot. Bonds8

About [(E)-3,4-dicyclopropyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane

[(E)-3,4-dicyclopropyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane (PubChem CID 11070688) has the molecular formula C30H52Si2 and a molecular weight of 468.92 g/mol. Its IUPAC name is [(E)-3,4-dicyclopropyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(E)-3,4-dicyclopropyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
PubChem CID11070688
Molecular FormulaC30H52Si2
Molecular Weight468.92 g/mol
Exact Mass468.36
IUPAC Name[(E)-3,4-dicyclopropyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#C/C(=C(/C#C[Si](C(C)C)(C(C)C)C(C)C)C1CC1)C1CC1)(C(C)C)C(C)C
InChIInChI=1S/C30H52Si2/c1-21(2)31(22(3)4,23(5)6)19-17-29(27-13-14-27)30(28-15-16-28)18-20-32(24(7)8,25(9)10)26(11)12/h21-28H,13-16H2,1-12H3/b30-29+
InChIKeyLILNHBUNJXXUTN-QVIHXGFCSA-N
XLogP9.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.92
LogP ≤ 59.55
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

5-(2-Cyclopropylidenecyclopropyl)pent-1-ynyl-trimethylsilane
CID 12142020
9-(2-Cyclopropylidenecyclopropyl)nona-1,6-diynyl-trimethylsilane
CID 11196522
Tert-butyl-[9-(2-cyclopropylidenecyclopropyl)nona-1,6-diynyl]-dimethylsilane
CID 11483790
[(Z)-3,4-dicyclopropyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 100967828

Frequently Asked Questions

What is the IUPAC name of [(E)-3,4-dicyclopropyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane?
The IUPAC name of [(E)-3,4-dicyclopropyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane (CID 11070688) is [(E)-3,4-dicyclopropyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [(E)-3,4-dicyclopropyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane?
The canonical SMILES for [(E)-3,4-dicyclopropyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane is CC(C)[Si](C#C/C(=C(/C#C[Si](C(C)C)(C(C)C)C(C)C)C1CC1)C1CC1)(C(C)C)C(C)C.
What is the InChIKey of [(E)-3,4-dicyclopropyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane?
The InChIKey is LILNHBUNJXXUTN-QVIHXGFCSA-N. The full InChI is InChI=1S/C30H52Si2/c1-21(2)31(22(3)4,23(5)6)19-17-29(27-13-14-27)30(28-15-16-28)18-20-32(24(7)8,25(9)10)26(11)12/h21-28H,13-16H2,1-12H3/b30-29+.
What are the key properties of [(E)-3,4-dicyclopropyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane?
[(E)-3,4-dicyclopropyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane has a molecular weight of 468.92 g/mol, XLogP of 9.55, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3,4-dicyclopropyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 11070688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).