(3aR,4R,6aS)-4-(1-dimethylsilyloxy-2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

C14H26O3Si — CID 173302372

IUPAC(3aR,4R,6aS)-4-(1-dimethylsilyloxy-2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESC[SiH](C)OC([C@@H]1CC[C@@H]2OC(=O)C[C@@H]21)C(C)(C)C
InChIInChI=1S/C14H26O3Si/c1-14(2,3)13(17-18(4)5)9-6-7-11-10(9)8-12(15)16-11/h9-11,13,18H,6-8H2,1-5H3/t9-,10-,11+,13?/m1/s1
InChIKeyQZDZCBRQJAQGGS-WHKIEGFNSA-N
MW270.44 g/mol
LogP2.74
Rot. Bonds3

About (3aR,4R,6aS)-4-(1-dimethylsilyloxy-2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

(3aR,4R,6aS)-4-(1-dimethylsilyloxy-2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (PubChem CID 173302372) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is (3aR,4R,6aS)-4-(1-dimethylsilyloxy-2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name(3aR,4R,6aS)-4-(1-dimethylsilyloxy-2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
PubChem CID173302372
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name(3aR,4R,6aS)-4-(1-dimethylsilyloxy-2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESC[SiH](C)OC([C@@H]1CC[C@@H]2OC(=O)C[C@@H]21)C(C)(C)C
InChIInChI=1S/C14H26O3Si/c1-14(2,3)13(17-18(4)5)9-6-7-11-10(9)8-12(15)16-11/h9-11,13,18H,6-8H2,1-5H3/t9-,10-,11+,13?/m1/s1
InChIKeyQZDZCBRQJAQGGS-WHKIEGFNSA-N
XLogP2.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3aR,4R,6aS)-4-(1-dimethylsilyloxy-2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The IUPAC name of (3aR,4R,6aS)-4-(1-dimethylsilyloxy-2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (CID 173302372) is (3aR,4R,6aS)-4-(1-dimethylsilyloxy-2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for (3aR,4R,6aS)-4-(1-dimethylsilyloxy-2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The canonical SMILES for (3aR,4R,6aS)-4-(1-dimethylsilyloxy-2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is C[SiH](C)OC([C@@H]1CC[C@@H]2OC(=O)C[C@@H]21)C(C)(C)C.
What is the InChIKey of (3aR,4R,6aS)-4-(1-dimethylsilyloxy-2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The InChIKey is QZDZCBRQJAQGGS-WHKIEGFNSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-14(2,3)13(17-18(4)5)9-6-7-11-10(9)8-12(15)16-11/h9-11,13,18H,6-8H2,1-5H3/t9-,10-,11+,13?/m1/s1.
What are the key properties of (3aR,4R,6aS)-4-(1-dimethylsilyloxy-2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
(3aR,4R,6aS)-4-(1-dimethylsilyloxy-2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one has a molecular weight of 270.44 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R,6aS)-4-(1-dimethylsilyloxy-2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 173302372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).