2-[(2R,3S,4E)-4-[[dimethyl(phenyl)silyl]methylidene]-2-prop-2-enyloxolan-3-yl]acetaldehyde

C18H24O2Si — CID 50941994

IUPAC2-[(2R,3S,4E)-4-[[dimethyl(phenyl)silyl]methylidene]-2-prop-2-enyloxolan-3-yl]acetaldehyde
SMILESC=CC[C@H]1OC/C(=C/[Si](C)(C)c2ccccc2)[C@@H]1CC=O
InChIInChI=1S/C18H24O2Si/c1-4-8-18-17(11-12-19)15(13-20-18)14-21(2,3)16-9-6-5-7-10-16/h4-7,9-10,12,14,17-18H,1,8,11,13H2,2-3H3/b15-14-/t17-,18+/m0/s1
InChIKeyLKDNOTHOPRSINK-QOQDJSECSA-N
MW300.47 g/mol
LogP3.25
Rot. Bonds6

About 2-[(2R,3S,4E)-4-[[dimethyl(phenyl)silyl]methylidene]-2-prop-2-enyloxolan-3-yl]acetaldehyde

2-[(2R,3S,4E)-4-[[dimethyl(phenyl)silyl]methylidene]-2-prop-2-enyloxolan-3-yl]acetaldehyde (PubChem CID 50941994) has the molecular formula C18H24O2Si and a molecular weight of 300.47 g/mol. Its IUPAC name is 2-[(2R,3S,4E)-4-[[dimethyl(phenyl)silyl]methylidene]-2-prop-2-enyloxolan-3-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(2R,3S,4E)-4-[[dimethyl(phenyl)silyl]methylidene]-2-prop-2-enyloxolan-3-yl]acetaldehyde
PubChem CID50941994
Molecular FormulaC18H24O2Si
Molecular Weight300.47 g/mol
Exact Mass300.15
IUPAC Name2-[(2R,3S,4E)-4-[[dimethyl(phenyl)silyl]methylidene]-2-prop-2-enyloxolan-3-yl]acetaldehyde
SMILESC=CC[C@H]1OC/C(=C/[Si](C)(C)c2ccccc2)[C@@H]1CC=O
InChIInChI=1S/C18H24O2Si/c1-4-8-18-17(11-12-19)15(13-20-18)14-21(2,3)16-9-6-5-7-10-16/h4-7,9-10,12,14,17-18H,1,8,11,13H2,2-3H3/b15-14-/t17-,18+/m0/s1
InChIKeyLKDNOTHOPRSINK-QOQDJSECSA-N
XLogP3.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.25
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3S,4E)-4-[[dimethyl(phenyl)silyl]methylidene]-2-prop-2-enyloxolan-3-yl]acetaldehyde?
The IUPAC name of 2-[(2R,3S,4E)-4-[[dimethyl(phenyl)silyl]methylidene]-2-prop-2-enyloxolan-3-yl]acetaldehyde (CID 50941994) is 2-[(2R,3S,4E)-4-[[dimethyl(phenyl)silyl]methylidene]-2-prop-2-enyloxolan-3-yl]acetaldehyde.
What is the SMILES notation for 2-[(2R,3S,4E)-4-[[dimethyl(phenyl)silyl]methylidene]-2-prop-2-enyloxolan-3-yl]acetaldehyde?
The canonical SMILES for 2-[(2R,3S,4E)-4-[[dimethyl(phenyl)silyl]methylidene]-2-prop-2-enyloxolan-3-yl]acetaldehyde is C=CC[C@H]1OC/C(=C/[Si](C)(C)c2ccccc2)[C@@H]1CC=O.
What is the InChIKey of 2-[(2R,3S,4E)-4-[[dimethyl(phenyl)silyl]methylidene]-2-prop-2-enyloxolan-3-yl]acetaldehyde?
The InChIKey is LKDNOTHOPRSINK-QOQDJSECSA-N. The full InChI is InChI=1S/C18H24O2Si/c1-4-8-18-17(11-12-19)15(13-20-18)14-21(2,3)16-9-6-5-7-10-16/h4-7,9-10,12,14,17-18H,1,8,11,13H2,2-3H3/b15-14-/t17-,18+/m0/s1.
What are the key properties of 2-[(2R,3S,4E)-4-[[dimethyl(phenyl)silyl]methylidene]-2-prop-2-enyloxolan-3-yl]acetaldehyde?
2-[(2R,3S,4E)-4-[[dimethyl(phenyl)silyl]methylidene]-2-prop-2-enyloxolan-3-yl]acetaldehyde has a molecular weight of 300.47 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3S,4E)-4-[[dimethyl(phenyl)silyl]methylidene]-2-prop-2-enyloxolan-3-yl]acetaldehyde is sourced from PubChem (CID 50941994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).