(4E,8E,12E)-5,9-dimethyl-2-methylidene-14-tri(propan-2-yl)silyloxypentadeca-4,8,12,14-tetraenal

C27H46O2Si — CID 11575596

IUPAC(4E,8E,12E)-5,9-dimethyl-2-methylidene-14-tri(propan-2-yl)silyloxypentadeca-4,8,12,14-tetraenal
SMILESC=C(C=O)C/C=C(\C)CC/C=C(\C)CC/C=C/C(=C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C27H46O2Si/c1-21(2)30(22(3)4,23(5)6)29-27(10)17-12-11-14-24(7)15-13-16-25(8)18-19-26(9)20-28/h12,15,17-18,20-23H,9-11,13-14,16,19H2,1-8H3/b17-12+,24-15+,25-18+
InChIKeyBMDHPRAPKKRHFK-NINGODMGSA-N
MW430.75 g/mol
LogP8.85
Rot. Bonds15

About (4E,8E,12E)-5,9-dimethyl-2-methylidene-14-tri(propan-2-yl)silyloxypentadeca-4,8,12,14-tetraenal

(4E,8E,12E)-5,9-dimethyl-2-methylidene-14-tri(propan-2-yl)silyloxypentadeca-4,8,12,14-tetraenal (PubChem CID 11575596) has the molecular formula C27H46O2Si and a molecular weight of 430.75 g/mol. Its IUPAC name is (4E,8E,12E)-5,9-dimethyl-2-methylidene-14-tri(propan-2-yl)silyloxypentadeca-4,8,12,14-tetraenal.

Molecular Properties

Compound Name(4E,8E,12E)-5,9-dimethyl-2-methylidene-14-tri(propan-2-yl)silyloxypentadeca-4,8,12,14-tetraenal
PubChem CID11575596
Molecular FormulaC27H46O2Si
Molecular Weight430.75 g/mol
Exact Mass430.33
IUPAC Name(4E,8E,12E)-5,9-dimethyl-2-methylidene-14-tri(propan-2-yl)silyloxypentadeca-4,8,12,14-tetraenal
SMILESC=C(C=O)C/C=C(\C)CC/C=C(\C)CC/C=C/C(=C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C27H46O2Si/c1-21(2)30(22(3)4,23(5)6)29-27(10)17-12-11-14-24(7)15-13-16-25(8)18-19-26(9)20-28/h12,15,17-18,20-23H,9-11,13-14,16,19H2,1-8H3/b17-12+,24-15+,25-18+
InChIKeyBMDHPRAPKKRHFK-NINGODMGSA-N
XLogP8.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.75
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 (4E,8E,12E)-5,9-dimethyl-2-methylidene-14-tri(propan-2-yl)silyloxypentadeca-4,8,12,14-tetraenal?
The IUPAC name of (4E,8E,12E)-5,9-dimethyl-2-methylidene-14-tri(propan-2-yl)silyloxypentadeca-4,8,12,14-tetraenal (CID 11575596) is (4E,8E,12E)-5,9-dimethyl-2-methylidene-14-tri(propan-2-yl)silyloxypentadeca-4,8,12,14-tetraenal.
What is the SMILES notation for (4E,8E,12E)-5,9-dimethyl-2-methylidene-14-tri(propan-2-yl)silyloxypentadeca-4,8,12,14-tetraenal?
The canonical SMILES for (4E,8E,12E)-5,9-dimethyl-2-methylidene-14-tri(propan-2-yl)silyloxypentadeca-4,8,12,14-tetraenal is C=C(C=O)C/C=C(\C)CC/C=C(\C)CC/C=C/C(=C)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (4E,8E,12E)-5,9-dimethyl-2-methylidene-14-tri(propan-2-yl)silyloxypentadeca-4,8,12,14-tetraenal?
The InChIKey is BMDHPRAPKKRHFK-NINGODMGSA-N. The full InChI is InChI=1S/C27H46O2Si/c1-21(2)30(22(3)4,23(5)6)29-27(10)17-12-11-14-24(7)15-13-16-25(8)18-19-26(9)20-28/h12,15,17-18,20-23H,9-11,13-14,16,19H2,1-8H3/b17-12+,24-15+,25-18+.
What are the key properties of (4E,8E,12E)-5,9-dimethyl-2-methylidene-14-tri(propan-2-yl)silyloxypentadeca-4,8,12,14-tetraenal?
(4E,8E,12E)-5,9-dimethyl-2-methylidene-14-tri(propan-2-yl)silyloxypentadeca-4,8,12,14-tetraenal has a molecular weight of 430.75 g/mol, XLogP of 8.85, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8E,12E)-5,9-dimethyl-2-methylidene-14-tri(propan-2-yl)silyloxypentadeca-4,8,12,14-tetraenal is sourced from PubChem (CID 11575596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).