(2E,4R,5R,6E,8S)-2,4,6,8-tetramethyl-5-tri(propan-2-yl)silyloxydeca-2,6-dienal

C23H44O2Si — CID 10595971

IUPAC(2E,4R,5R,6E,8S)-2,4,6,8-tetramethyl-5-tri(propan-2-yl)silyloxydeca-2,6-dienal
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=O
InChIInChI=1S/C23H44O2Si/c1-12-19(8)13-21(10)23(22(11)14-20(9)15-24)25-26(16(2)3,17(4)5)18(6)7/h13-19,22-23H,12H2,1-11H3/b20-14+,21-13+/t19-,22+,23-/m0/s1
InChIKeyBUCALXGHWFZBTJ-HHBASZSOSA-N
MW380.69 g/mol
LogP7.32
Rot. Bonds11

About (2E,4R,5R,6E,8S)-2,4,6,8-tetramethyl-5-tri(propan-2-yl)silyloxydeca-2,6-dienal

(2E,4R,5R,6E,8S)-2,4,6,8-tetramethyl-5-tri(propan-2-yl)silyloxydeca-2,6-dienal (PubChem CID 10595971) has the molecular formula C23H44O2Si and a molecular weight of 380.69 g/mol. Its IUPAC name is (2E,4R,5R,6E,8S)-2,4,6,8-tetramethyl-5-tri(propan-2-yl)silyloxydeca-2,6-dienal.

Molecular Properties

Compound Name(2E,4R,5R,6E,8S)-2,4,6,8-tetramethyl-5-tri(propan-2-yl)silyloxydeca-2,6-dienal
PubChem CID10595971
Molecular FormulaC23H44O2Si
Molecular Weight380.69 g/mol
Exact Mass380.31
IUPAC Name(2E,4R,5R,6E,8S)-2,4,6,8-tetramethyl-5-tri(propan-2-yl)silyloxydeca-2,6-dienal
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=O
InChIInChI=1S/C23H44O2Si/c1-12-19(8)13-21(10)23(22(11)14-20(9)15-24)25-26(16(2)3,17(4)5)18(6)7/h13-19,22-23H,12H2,1-11H3/b20-14+,21-13+/t19-,22+,23-/m0/s1
InChIKeyBUCALXGHWFZBTJ-HHBASZSOSA-N
XLogP7.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.69
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4R,5R,6E,8S)-2,4,6,8-tetramethyl-5-tri(propan-2-yl)silyloxydeca-2,6-dienal?
The IUPAC name of (2E,4R,5R,6E,8S)-2,4,6,8-tetramethyl-5-tri(propan-2-yl)silyloxydeca-2,6-dienal (CID 10595971) is (2E,4R,5R,6E,8S)-2,4,6,8-tetramethyl-5-tri(propan-2-yl)silyloxydeca-2,6-dienal.
What is the SMILES notation for (2E,4R,5R,6E,8S)-2,4,6,8-tetramethyl-5-tri(propan-2-yl)silyloxydeca-2,6-dienal?
The canonical SMILES for (2E,4R,5R,6E,8S)-2,4,6,8-tetramethyl-5-tri(propan-2-yl)silyloxydeca-2,6-dienal 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=O.
What is the InChIKey of (2E,4R,5R,6E,8S)-2,4,6,8-tetramethyl-5-tri(propan-2-yl)silyloxydeca-2,6-dienal?
The InChIKey is BUCALXGHWFZBTJ-HHBASZSOSA-N. The full InChI is InChI=1S/C23H44O2Si/c1-12-19(8)13-21(10)23(22(11)14-20(9)15-24)25-26(16(2)3,17(4)5)18(6)7/h13-19,22-23H,12H2,1-11H3/b20-14+,21-13+/t19-,22+,23-/m0/s1.
What are the key properties of (2E,4R,5R,6E,8S)-2,4,6,8-tetramethyl-5-tri(propan-2-yl)silyloxydeca-2,6-dienal?
(2E,4R,5R,6E,8S)-2,4,6,8-tetramethyl-5-tri(propan-2-yl)silyloxydeca-2,6-dienal has a molecular weight of 380.69 g/mol, XLogP of 7.32, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4R,5R,6E,8S)-2,4,6,8-tetramethyl-5-tri(propan-2-yl)silyloxydeca-2,6-dienal is sourced from PubChem (CID 10595971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).