(1R,2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carbaldehyde

C16H30O2Si — CID 45277536

IUPAC(1R,2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carbaldehyde
SMILESC=C(C)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H]1C=O
InChIInChI=1S/C16H30O2Si/c1-11(2)13-9-15(12(3)14(13)10-17)18-19(7,8)16(4,5)6/h10,12-15H,1,9H2,2-8H3/t12-,13-,14-,15+/m0/s1
InChIKeyTXGSZEXTWNRGHD-ZQDZILKHSA-N
MW282.50 g/mol
LogP4.42
Rot. Bonds4

About (1R,2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carbaldehyde

(1R,2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carbaldehyde (PubChem CID 45277536) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is (1R,2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name(1R,2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carbaldehyde
PubChem CID45277536
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name(1R,2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carbaldehyde
SMILESC=C(C)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H]1C=O
InChIInChI=1S/C16H30O2Si/c1-11(2)13-9-15(12(3)14(13)10-17)18-19(7,8)16(4,5)6/h10,12-15H,1,9H2,2-8H3/t12-,13-,14-,15+/m0/s1
InChIKeyTXGSZEXTWNRGHD-ZQDZILKHSA-N
XLogP4.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.42
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 (1R,2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carbaldehyde?
The IUPAC name of (1R,2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carbaldehyde (CID 45277536) is (1R,2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carbaldehyde.
What is the SMILES notation for (1R,2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carbaldehyde?
The canonical SMILES for (1R,2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carbaldehyde is C=C(C)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H]1C=O.
What is the InChIKey of (1R,2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carbaldehyde?
The InChIKey is TXGSZEXTWNRGHD-ZQDZILKHSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-11(2)13-9-15(12(3)14(13)10-17)18-19(7,8)16(4,5)6/h10,12-15H,1,9H2,2-8H3/t12-,13-,14-,15+/m0/s1.
What are the key properties of (1R,2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carbaldehyde?
(1R,2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carbaldehyde has a molecular weight of 282.50 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carbaldehyde is sourced from PubChem (CID 45277536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).