(2Z)-2-[(2R,5R)-2-[(Z)-but-2-enyl]-2-tert-butyl-5-propyloxasilolan-3-ylidene]acetaldehyde

C16H28O2Si — CID 134854916

IUPAC(2Z)-2-[(2R,5R)-2-[(Z)-but-2-enyl]-2-tert-butyl-5-propyloxasilolan-3-ylidene]acetaldehyde
SMILESC/C=C\C[Si@]1(C(C)(C)C)O[C@H](CCC)C/C1=C/C=O
InChIInChI=1S/C16H28O2Si/c1-6-8-12-19(16(3,4)5)15(10-11-17)13-14(18-19)9-7-2/h6,8,10-11,14H,7,9,12-13H2,1-5H3/b8-6-,15-10-/t14-,19+/m1/s1
InChIKeyNYYUSVFBXWXOLN-XIJFIRDPSA-N
MW280.48 g/mol
LogP4.56
Rot. Bonds5

About (2Z)-2-[(2R,5R)-2-[(Z)-but-2-enyl]-2-tert-butyl-5-propyloxasilolan-3-ylidene]acetaldehyde

(2Z)-2-[(2R,5R)-2-[(Z)-but-2-enyl]-2-tert-butyl-5-propyloxasilolan-3-ylidene]acetaldehyde (PubChem CID 134854916) has the molecular formula C16H28O2Si and a molecular weight of 280.48 g/mol. Its IUPAC name is (2Z)-2-[(2R,5R)-2-[(Z)-but-2-enyl]-2-tert-butyl-5-propyloxasilolan-3-ylidene]acetaldehyde.

Molecular Properties

Compound Name(2Z)-2-[(2R,5R)-2-[(Z)-but-2-enyl]-2-tert-butyl-5-propyloxasilolan-3-ylidene]acetaldehyde
PubChem CID134854916
Molecular FormulaC16H28O2Si
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Name(2Z)-2-[(2R,5R)-2-[(Z)-but-2-enyl]-2-tert-butyl-5-propyloxasilolan-3-ylidene]acetaldehyde
SMILESC/C=C\C[Si@]1(C(C)(C)C)O[C@H](CCC)C/C1=C/C=O
InChIInChI=1S/C16H28O2Si/c1-6-8-12-19(16(3,4)5)15(10-11-17)13-14(18-19)9-7-2/h6,8,10-11,14H,7,9,12-13H2,1-5H3/b8-6-,15-10-/t14-,19+/m1/s1
InChIKeyNYYUSVFBXWXOLN-XIJFIRDPSA-N
XLogP4.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.56
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 (2Z)-2-[(2R,5R)-2-[(Z)-but-2-enyl]-2-tert-butyl-5-propyloxasilolan-3-ylidene]acetaldehyde?
The IUPAC name of (2Z)-2-[(2R,5R)-2-[(Z)-but-2-enyl]-2-tert-butyl-5-propyloxasilolan-3-ylidene]acetaldehyde (CID 134854916) is (2Z)-2-[(2R,5R)-2-[(Z)-but-2-enyl]-2-tert-butyl-5-propyloxasilolan-3-ylidene]acetaldehyde.
What is the SMILES notation for (2Z)-2-[(2R,5R)-2-[(Z)-but-2-enyl]-2-tert-butyl-5-propyloxasilolan-3-ylidene]acetaldehyde?
The canonical SMILES for (2Z)-2-[(2R,5R)-2-[(Z)-but-2-enyl]-2-tert-butyl-5-propyloxasilolan-3-ylidene]acetaldehyde is C/C=C\C[Si@]1(C(C)(C)C)O[C@H](CCC)C/C1=C/C=O.
What is the InChIKey of (2Z)-2-[(2R,5R)-2-[(Z)-but-2-enyl]-2-tert-butyl-5-propyloxasilolan-3-ylidene]acetaldehyde?
The InChIKey is NYYUSVFBXWXOLN-XIJFIRDPSA-N. The full InChI is InChI=1S/C16H28O2Si/c1-6-8-12-19(16(3,4)5)15(10-11-17)13-14(18-19)9-7-2/h6,8,10-11,14H,7,9,12-13H2,1-5H3/b8-6-,15-10-/t14-,19+/m1/s1.
What are the key properties of (2Z)-2-[(2R,5R)-2-[(Z)-but-2-enyl]-2-tert-butyl-5-propyloxasilolan-3-ylidene]acetaldehyde?
(2Z)-2-[(2R,5R)-2-[(Z)-but-2-enyl]-2-tert-butyl-5-propyloxasilolan-3-ylidene]acetaldehyde has a molecular weight of 280.48 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2R,5R)-2-[(Z)-but-2-enyl]-2-tert-butyl-5-propyloxasilolan-3-ylidene]acetaldehyde is sourced from PubChem (CID 134854916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).