(3aR,6aS)-2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-5-carbaldehyde

C16H28O3Si — CID 90019128

IUPAC(3aR,6aS)-2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-5-carbaldehyde
SMILESCC(C)C(C)(C)[Si](C)(C)OC1C[C@@H]2C=C(C=O)C[C@@H]2O1
InChIInChI=1S/C16H28O3Si/c1-11(2)16(3,4)20(5,6)19-15-9-13-7-12(10-17)8-14(13)18-15/h7,10-11,13-15H,8-9H2,1-6H3/t13-,14-,15?/m0/s1
InChIKeyIAEZHIIUSKETBV-ZYOSVBKOSA-N
MW296.48 g/mol
LogP3.90
Rot. Bonds5

About (3aR,6aS)-2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-5-carbaldehyde

(3aR,6aS)-2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-5-carbaldehyde (PubChem CID 90019128) has the molecular formula C16H28O3Si and a molecular weight of 296.48 g/mol. Its IUPAC name is (3aR,6aS)-2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-5-carbaldehyde.

Molecular Properties

Compound Name(3aR,6aS)-2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-5-carbaldehyde
PubChem CID90019128
Molecular FormulaC16H28O3Si
Molecular Weight296.48 g/mol
Exact Mass296.18
IUPAC Name(3aR,6aS)-2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-5-carbaldehyde
SMILESCC(C)C(C)(C)[Si](C)(C)OC1C[C@@H]2C=C(C=O)C[C@@H]2O1
InChIInChI=1S/C16H28O3Si/c1-11(2)16(3,4)20(5,6)19-15-9-13-7-12(10-17)8-14(13)18-15/h7,10-11,13-15H,8-9H2,1-6H3/t13-,14-,15?/m0/s1
InChIKeyIAEZHIIUSKETBV-ZYOSVBKOSA-N
XLogP3.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-5-carbaldehyde?
The IUPAC name of (3aR,6aS)-2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-5-carbaldehyde (CID 90019128) is (3aR,6aS)-2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-5-carbaldehyde.
What is the SMILES notation for (3aR,6aS)-2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-5-carbaldehyde?
The canonical SMILES for (3aR,6aS)-2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-5-carbaldehyde is CC(C)C(C)(C)[Si](C)(C)OC1C[C@@H]2C=C(C=O)C[C@@H]2O1.
What is the InChIKey of (3aR,6aS)-2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-5-carbaldehyde?
The InChIKey is IAEZHIIUSKETBV-ZYOSVBKOSA-N. The full InChI is InChI=1S/C16H28O3Si/c1-11(2)16(3,4)20(5,6)19-15-9-13-7-12(10-17)8-14(13)18-15/h7,10-11,13-15H,8-9H2,1-6H3/t13-,14-,15?/m0/s1.
What are the key properties of (3aR,6aS)-2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-5-carbaldehyde?
(3aR,6aS)-2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-5-carbaldehyde has a molecular weight of 296.48 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-5-carbaldehyde is sourced from PubChem (CID 90019128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).