trimethyl-[(3Z,5R,6R,7E,9S)-3,5,7,9-tetramethyl-6-tri(propan-2-yl)silyloxyundeca-3,7-dien-1-ynyl]silane

C27H52OSi2 — CID 10527486

IUPACtrimethyl-[(3Z,5R,6R,7E,9S)-3,5,7,9-tetramethyl-6-tri(propan-2-yl)silyloxyundeca-3,7-dien-1-ynyl]silane
SMILESCC[C@H](C)/C=C(\C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)/C=C(/C)C#C[Si](C)(C)C
InChIInChI=1S/C27H52OSi2/c1-15-23(8)18-25(10)27(26(11)19-24(9)16-17-29(12,13)14)28-30(20(2)3,21(4)5)22(6)7/h18-23,26-27H,15H2,1-14H3/b24-19-,25-18+/t23-,26+,27-/m0/s1
InChIKeyBVJRPFRREUQDQD-OSOFXNNESA-N
MW448.88 g/mol
LogP9.00
Rot. Bonds10

About trimethyl-[(3Z,5R,6R,7E,9S)-3,5,7,9-tetramethyl-6-tri(propan-2-yl)silyloxyundeca-3,7-dien-1-ynyl]silane

trimethyl-[(3Z,5R,6R,7E,9S)-3,5,7,9-tetramethyl-6-tri(propan-2-yl)silyloxyundeca-3,7-dien-1-ynyl]silane (PubChem CID 10527486) has the molecular formula C27H52OSi2 and a molecular weight of 448.88 g/mol. Its IUPAC name is trimethyl-[(3Z,5R,6R,7E,9S)-3,5,7,9-tetramethyl-6-tri(propan-2-yl)silyloxyundeca-3,7-dien-1-ynyl]silane.

Molecular Properties

Compound Nametrimethyl-[(3Z,5R,6R,7E,9S)-3,5,7,9-tetramethyl-6-tri(propan-2-yl)silyloxyundeca-3,7-dien-1-ynyl]silane
PubChem CID10527486
Molecular FormulaC27H52OSi2
Molecular Weight448.88 g/mol
Exact Mass448.36
IUPAC Nametrimethyl-[(3Z,5R,6R,7E,9S)-3,5,7,9-tetramethyl-6-tri(propan-2-yl)silyloxyundeca-3,7-dien-1-ynyl]silane
SMILESCC[C@H](C)/C=C(\C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)/C=C(/C)C#C[Si](C)(C)C
InChIInChI=1S/C27H52OSi2/c1-15-23(8)18-25(10)27(26(11)19-24(9)16-17-29(12,13)14)28-30(20(2)3,21(4)5)22(6)7/h18-23,26-27H,15H2,1-14H3/b24-19-,25-18+/t23-,26+,27-/m0/s1
InChIKeyBVJRPFRREUQDQD-OSOFXNNESA-N
XLogP9.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.88
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(3Z,5R,6R,7E,9S)-3,5,7,9-tetramethyl-6-tri(propan-2-yl)silyloxyundeca-3,7-dien-1-ynyl]silane?
The IUPAC name of trimethyl-[(3Z,5R,6R,7E,9S)-3,5,7,9-tetramethyl-6-tri(propan-2-yl)silyloxyundeca-3,7-dien-1-ynyl]silane (CID 10527486) is trimethyl-[(3Z,5R,6R,7E,9S)-3,5,7,9-tetramethyl-6-tri(propan-2-yl)silyloxyundeca-3,7-dien-1-ynyl]silane.
What is the SMILES notation for trimethyl-[(3Z,5R,6R,7E,9S)-3,5,7,9-tetramethyl-6-tri(propan-2-yl)silyloxyundeca-3,7-dien-1-ynyl]silane?
The canonical SMILES for trimethyl-[(3Z,5R,6R,7E,9S)-3,5,7,9-tetramethyl-6-tri(propan-2-yl)silyloxyundeca-3,7-dien-1-ynyl]silane is CC[C@H](C)/C=C(\C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)/C=C(/C)C#C[Si](C)(C)C.
What is the InChIKey of trimethyl-[(3Z,5R,6R,7E,9S)-3,5,7,9-tetramethyl-6-tri(propan-2-yl)silyloxyundeca-3,7-dien-1-ynyl]silane?
The InChIKey is BVJRPFRREUQDQD-OSOFXNNESA-N. The full InChI is InChI=1S/C27H52OSi2/c1-15-23(8)18-25(10)27(26(11)19-24(9)16-17-29(12,13)14)28-30(20(2)3,21(4)5)22(6)7/h18-23,26-27H,15H2,1-14H3/b24-19-,25-18+/t23-,26+,27-/m0/s1.
What are the key properties of trimethyl-[(3Z,5R,6R,7E,9S)-3,5,7,9-tetramethyl-6-tri(propan-2-yl)silyloxyundeca-3,7-dien-1-ynyl]silane?
trimethyl-[(3Z,5R,6R,7E,9S)-3,5,7,9-tetramethyl-6-tri(propan-2-yl)silyloxyundeca-3,7-dien-1-ynyl]silane has a molecular weight of 448.88 g/mol, XLogP of 9.00, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(3Z,5R,6R,7E,9S)-3,5,7,9-tetramethyl-6-tri(propan-2-yl)silyloxyundeca-3,7-dien-1-ynyl]silane is sourced from PubChem (CID 10527486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).