2-[(E)-3-tri(propan-2-yl)silyloxyprop-2-enyl]octanal

C20H40O2Si — CID 101227896

IUPAC2-[(E)-3-tri(propan-2-yl)silyloxyprop-2-enyl]octanal
SMILESCCCCCCC(C=O)C/C=C/O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H40O2Si/c1-8-9-10-11-13-20(16-21)14-12-15-22-23(17(2)3,18(4)5)19(6)7/h12,15-20H,8-11,13-14H2,1-7H3/b15-12+
InChIKeyXNNJNAVUXGMVNH-NTCAYCPXSA-N
MW340.62 g/mol
LogP6.87
Rot. Bonds13

About 2-[(E)-3-tri(propan-2-yl)silyloxyprop-2-enyl]octanal

2-[(E)-3-tri(propan-2-yl)silyloxyprop-2-enyl]octanal (PubChem CID 101227896) has the molecular formula C20H40O2Si and a molecular weight of 340.62 g/mol. Its IUPAC name is 2-[(E)-3-tri(propan-2-yl)silyloxyprop-2-enyl]octanal.

Molecular Properties

Compound Name2-[(E)-3-tri(propan-2-yl)silyloxyprop-2-enyl]octanal
PubChem CID101227896
Molecular FormulaC20H40O2Si
Molecular Weight340.62 g/mol
Exact Mass340.28
IUPAC Name2-[(E)-3-tri(propan-2-yl)silyloxyprop-2-enyl]octanal
SMILESCCCCCCC(C=O)C/C=C/O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H40O2Si/c1-8-9-10-11-13-20(16-21)14-12-15-22-23(17(2)3,18(4)5)19(6)7/h12,15-20H,8-11,13-14H2,1-7H3/b15-12+
InChIKeyXNNJNAVUXGMVNH-NTCAYCPXSA-N
XLogP6.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.62
LogP ≤ 56.87
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-hexadecylbutanedial
CID 23443177
2-dodecylbutanedial
CID 19787656
2-ethylheptadecanal
CID 18629573
2-prop-2-enyloctadecanal
CID 173235739
(3R)-3-tri(propan-2-yl)silyloxyhexadecanal
CID 16741866
(E)-2-propyltridec-4-enal
CID 118354645
2-(6-chlorohexyl)dodecanal
CID 175197438
1-methyltricosane-1,6,12,19-tetracarbaldehyde
CID 174477373
2-undecylpentadecanedial
CID 91207185
2-(2-chloroethyl)decanal
CID 175197412
2-(2-aminoethyl)heptanal
CID 163417417
2-methyldodecanal
CID 87784106

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-tri(propan-2-yl)silyloxyprop-2-enyl]octanal?
The IUPAC name of 2-[(E)-3-tri(propan-2-yl)silyloxyprop-2-enyl]octanal (CID 101227896) is 2-[(E)-3-tri(propan-2-yl)silyloxyprop-2-enyl]octanal.
What is the SMILES notation for 2-[(E)-3-tri(propan-2-yl)silyloxyprop-2-enyl]octanal?
The canonical SMILES for 2-[(E)-3-tri(propan-2-yl)silyloxyprop-2-enyl]octanal is CCCCCCC(C=O)C/C=C/O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 2-[(E)-3-tri(propan-2-yl)silyloxyprop-2-enyl]octanal?
The InChIKey is XNNJNAVUXGMVNH-NTCAYCPXSA-N. The full InChI is InChI=1S/C20H40O2Si/c1-8-9-10-11-13-20(16-21)14-12-15-22-23(17(2)3,18(4)5)19(6)7/h12,15-20H,8-11,13-14H2,1-7H3/b15-12+.
What are the key properties of 2-[(E)-3-tri(propan-2-yl)silyloxyprop-2-enyl]octanal?
2-[(E)-3-tri(propan-2-yl)silyloxyprop-2-enyl]octanal has a molecular weight of 340.62 g/mol, XLogP of 6.87, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-tri(propan-2-yl)silyloxyprop-2-enyl]octanal is sourced from PubChem (CID 101227896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).