2-[(1R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]acetaldehyde

C18H34O2Si — CID 57412964

IUPAC2-[(1R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]acetaldehyde
SMILESC=C1[C@@H](C(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)CC=O
InChIInChI=1S/C18H34O2Si/c1-13(2)15-12-16(18(7,10-11-19)14(15)3)20-21(8,9)17(4,5)6/h11,13,15-16H,3,10,12H2,1-2,4-9H3/t15-,16-,18-/m1/s1
InChIKeyDWXZDZJFANRNGA-JFIYKMOQSA-N
MW310.55 g/mol
LogP5.20
Rot. Bonds5

About 2-[(1R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]acetaldehyde

2-[(1R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]acetaldehyde (PubChem CID 57412964) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is 2-[(1R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]acetaldehyde.

Molecular Properties

Compound Name2-[(1R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]acetaldehyde
PubChem CID57412964
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name2-[(1R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]acetaldehyde
SMILESC=C1[C@@H](C(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)CC=O
InChIInChI=1S/C18H34O2Si/c1-13(2)15-12-16(18(7,10-11-19)14(15)3)20-21(8,9)17(4,5)6/h11,13,15-16H,3,10,12H2,1-2,4-9H3/t15-,16-,18-/m1/s1
InChIKeyDWXZDZJFANRNGA-JFIYKMOQSA-N
XLogP5.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 55.20
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,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]acetaldehyde?
The IUPAC name of 2-[(1R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]acetaldehyde (CID 57412964) is 2-[(1R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]acetaldehyde.
What is the SMILES notation for 2-[(1R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]acetaldehyde?
The canonical SMILES for 2-[(1R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]acetaldehyde is C=C1[C@@H](C(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)CC=O.
What is the InChIKey of 2-[(1R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]acetaldehyde?
The InChIKey is DWXZDZJFANRNGA-JFIYKMOQSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-13(2)15-12-16(18(7,10-11-19)14(15)3)20-21(8,9)17(4,5)6/h11,13,15-16H,3,10,12H2,1-2,4-9H3/t15-,16-,18-/m1/s1.
What are the key properties of 2-[(1R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]acetaldehyde?
2-[(1R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]acetaldehyde has a molecular weight of 310.55 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]acetaldehyde is sourced from PubChem (CID 57412964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).