2-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclohexyl]acetaldehyde

C17H32O2Si — CID 11822589

IUPAC2-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclohexyl]acetaldehyde
SMILESC=C(C)[C@@]1(O[Si](CC)(CC)CC)CCCC[C@@H]1CC=O
InChIInChI=1S/C17H32O2Si/c1-6-20(7-2,8-3)19-17(15(4)5)13-10-9-11-16(17)12-14-18/h14,16H,4,6-13H2,1-3,5H3/t16-,17+/m1/s1
InChIKeyWBPAVHQSUCSFJR-SJORKVTESA-N
MW296.53 g/mol
LogP5.10
Rot. Bonds8

About 2-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclohexyl]acetaldehyde

2-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclohexyl]acetaldehyde (PubChem CID 11822589) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is 2-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclohexyl]acetaldehyde.

Molecular Properties

Compound Name2-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclohexyl]acetaldehyde
PubChem CID11822589
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name2-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclohexyl]acetaldehyde
SMILESC=C(C)[C@@]1(O[Si](CC)(CC)CC)CCCC[C@@H]1CC=O
InChIInChI=1S/C17H32O2Si/c1-6-20(7-2,8-3)19-17(15(4)5)13-10-9-11-16(17)12-14-18/h14,16H,4,6-13H2,1-3,5H3/t16-,17+/m1/s1
InChIKeyWBPAVHQSUCSFJR-SJORKVTESA-N
XLogP5.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.53
LogP ≤ 55.10
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-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclohexyl]acetaldehyde?
The IUPAC name of 2-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclohexyl]acetaldehyde (CID 11822589) is 2-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclohexyl]acetaldehyde.
What is the SMILES notation for 2-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclohexyl]acetaldehyde?
The canonical SMILES for 2-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclohexyl]acetaldehyde is C=C(C)[C@@]1(O[Si](CC)(CC)CC)CCCC[C@@H]1CC=O.
What is the InChIKey of 2-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclohexyl]acetaldehyde?
The InChIKey is WBPAVHQSUCSFJR-SJORKVTESA-N. The full InChI is InChI=1S/C17H32O2Si/c1-6-20(7-2,8-3)19-17(15(4)5)13-10-9-11-16(17)12-14-18/h14,16H,4,6-13H2,1-3,5H3/t16-,17+/m1/s1.
What are the key properties of 2-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclohexyl]acetaldehyde?
2-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclohexyl]acetaldehyde has a molecular weight of 296.53 g/mol, XLogP of 5.10, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclohexyl]acetaldehyde is sourced from PubChem (CID 11822589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).