(1S,4aS,6R)-1-prop-2-enoxy-7-trimethylsilyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyran-6-ol

C14H24O3Si — CID 102396847

IUPAC(1S,4aS,6R)-1-prop-2-enoxy-7-trimethylsilyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyran-6-ol
SMILESC=CCO[C@@H]1OCC[C@H]2C[C@@H](O)C([Si](C)(C)C)=C21
InChIInChI=1S/C14H24O3Si/c1-5-7-16-14-12-10(6-8-17-14)9-11(15)13(12)18(2,3)4/h5,10-11,14-15H,1,6-9H2,2-4H3/t10-,11+,14+/m0/s1
InChIKeyDHDQCBCULPHABX-MISXGVKJSA-N
MW268.43 g/mol
LogP2.49
Rot. Bonds4

About (1S,4aS,6R)-1-prop-2-enoxy-7-trimethylsilyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyran-6-ol

(1S,4aS,6R)-1-prop-2-enoxy-7-trimethylsilyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyran-6-ol (PubChem CID 102396847) has the molecular formula C14H24O3Si and a molecular weight of 268.43 g/mol. Its IUPAC name is (1S,4aS,6R)-1-prop-2-enoxy-7-trimethylsilyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyran-6-ol.

Molecular Properties

Compound Name(1S,4aS,6R)-1-prop-2-enoxy-7-trimethylsilyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyran-6-ol
PubChem CID102396847
Molecular FormulaC14H24O3Si
Molecular Weight268.43 g/mol
Exact Mass268.15
IUPAC Name(1S,4aS,6R)-1-prop-2-enoxy-7-trimethylsilyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyran-6-ol
SMILESC=CCO[C@@H]1OCC[C@H]2C[C@@H](O)C([Si](C)(C)C)=C21
InChIInChI=1S/C14H24O3Si/c1-5-7-16-14-12-10(6-8-17-14)9-11(15)13(12)18(2,3)4/h5,10-11,14-15H,1,6-9H2,2-4H3/t10-,11+,14+/m0/s1
InChIKeyDHDQCBCULPHABX-MISXGVKJSA-N
XLogP2.49
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 (1S,4aS,6R)-1-prop-2-enoxy-7-trimethylsilyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyran-6-ol?
The IUPAC name of (1S,4aS,6R)-1-prop-2-enoxy-7-trimethylsilyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyran-6-ol (CID 102396847) is (1S,4aS,6R)-1-prop-2-enoxy-7-trimethylsilyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyran-6-ol.
What is the SMILES notation for (1S,4aS,6R)-1-prop-2-enoxy-7-trimethylsilyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyran-6-ol?
The canonical SMILES for (1S,4aS,6R)-1-prop-2-enoxy-7-trimethylsilyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyran-6-ol is C=CCO[C@@H]1OCC[C@H]2C[C@@H](O)C([Si](C)(C)C)=C21.
What is the InChIKey of (1S,4aS,6R)-1-prop-2-enoxy-7-trimethylsilyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyran-6-ol?
The InChIKey is DHDQCBCULPHABX-MISXGVKJSA-N. The full InChI is InChI=1S/C14H24O3Si/c1-5-7-16-14-12-10(6-8-17-14)9-11(15)13(12)18(2,3)4/h5,10-11,14-15H,1,6-9H2,2-4H3/t10-,11+,14+/m0/s1.
What are the key properties of (1S,4aS,6R)-1-prop-2-enoxy-7-trimethylsilyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyran-6-ol?
(1S,4aS,6R)-1-prop-2-enoxy-7-trimethylsilyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyran-6-ol has a molecular weight of 268.43 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4aS,6R)-1-prop-2-enoxy-7-trimethylsilyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyran-6-ol is sourced from PubChem (CID 102396847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).