(3R,5R,6aS)-3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol

C13H22O3Si — CID 15539245

IUPAC(3R,5R,6aS)-3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol
SMILESC=CCO[C@@H]1OC[C@H]2C[C@@H](O)C([Si](C)(C)C)=C21
InChIInChI=1S/C13H22O3Si/c1-5-6-15-13-11-9(8-16-13)7-10(14)12(11)17(2,3)4/h5,9-10,13-14H,1,6-8H2,2-4H3/t9-,10-,13-/m1/s1
InChIKeyOFVDRAFDVIBPSA-GIPNMCIBSA-N
MW254.40 g/mol
LogP2.10
Rot. Bonds4

About (3R,5R,6aS)-3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol

(3R,5R,6aS)-3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol (PubChem CID 15539245) has the molecular formula C13H22O3Si and a molecular weight of 254.40 g/mol. Its IUPAC name is (3R,5R,6aS)-3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol.

Molecular Properties

Compound Name(3R,5R,6aS)-3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol
PubChem CID15539245
Molecular FormulaC13H22O3Si
Molecular Weight254.40 g/mol
Exact Mass254.13
IUPAC Name(3R,5R,6aS)-3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol
SMILESC=CCO[C@@H]1OC[C@H]2C[C@@H](O)C([Si](C)(C)C)=C21
InChIInChI=1S/C13H22O3Si/c1-5-6-15-13-11-9(8-16-13)7-10(14)12(11)17(2,3)4/h5,9-10,13-14H,1,6-8H2,2-4H3/t9-,10-,13-/m1/s1
InChIKeyOFVDRAFDVIBPSA-GIPNMCIBSA-N
XLogP2.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.10
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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Launch Full Analysis

Related Compounds

4-(3,3-Diethoxyprop-1-en-2-yl)cyclopent-2-en-1-ol
CID 134981038
(1R,4aS,6R)-1-but-3-enoxy-7-trimethylsilyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyran-6-ol
CID 11460246
(5R)-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol
CID 60096038
(5R)-3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol
CID 60096051
(3S,6aR)-3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol
CID 60096074
3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol
CID 69887340
3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol
CID 69888139
(5R)-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol;(5R)-3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol
CID 159062981
4-(1-ethoxyethyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-ol
CID 163830358
(3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-yl) acetate
CID 4866796
(3S,5S,6aR)-3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol
CID 101189183
(1R,4aR,6S)-1-prop-2-enoxy-7-trimethylsilyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyran-6-ol
CID 102396846

Frequently Asked Questions

What is the IUPAC name of (3R,5R,6aS)-3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol?
The IUPAC name of (3R,5R,6aS)-3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol (CID 15539245) is (3R,5R,6aS)-3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol.
What is the SMILES notation for (3R,5R,6aS)-3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol?
The canonical SMILES for (3R,5R,6aS)-3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol is C=CCO[C@@H]1OC[C@H]2C[C@@H](O)C([Si](C)(C)C)=C21.
What is the InChIKey of (3R,5R,6aS)-3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol?
The InChIKey is OFVDRAFDVIBPSA-GIPNMCIBSA-N. The full InChI is InChI=1S/C13H22O3Si/c1-5-6-15-13-11-9(8-16-13)7-10(14)12(11)17(2,3)4/h5,9-10,13-14H,1,6-8H2,2-4H3/t9-,10-,13-/m1/s1.
What are the key properties of (3R,5R,6aS)-3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol?
(3R,5R,6aS)-3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol has a molecular weight of 254.40 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R,6aS)-3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol is sourced from PubChem (CID 15539245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).