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

C15H24O4Si — CID 4866796

IUPAC(3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-yl) acetate
SMILESC=CCOC1OCC2CC(OC(C)=O)C([Si](C)(C)C)=C21
InChIInChI=1S/C15H24O4Si/c1-6-7-17-15-13-11(9-18-15)8-12(19-10(2)16)14(13)20(3,4)5/h6,11-12,15H,1,7-9H2,2-5H3
InChIKeyMQNHNLPAXGPWLO-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.67
Rot. Bonds5

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

(3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-yl) acetate (PubChem CID 4866796) has the molecular formula C15H24O4Si and a molecular weight of 296.44 g/mol. Its IUPAC name is (3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-yl) acetate.

Molecular Properties

Compound Name(3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-yl) acetate
PubChem CID4866796
Molecular FormulaC15H24O4Si
Molecular Weight296.44 g/mol
Exact Mass296.14
IUPAC Name(3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-yl) acetate
SMILESC=CCOC1OCC2CC(OC(C)=O)C([Si](C)(C)C)=C21
InChIInChI=1S/C15H24O4Si/c1-6-7-17-15-13-11(9-18-15)8-12(19-10(2)16)14(13)20(3,4)5/h6,11-12,15H,1,7-9H2,2-5H3
InChIKeyMQNHNLPAXGPWLO-UHFFFAOYSA-N
XLogP2.67
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(3R,5R,6aS)-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-yl] acetate
CID 11322052
(3R,5R,6aS)-3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol
CID 15539245
[(5R)-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-yl] acetate
CID 60096048
(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-yl) acetate
CID 69887345
3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol
CID 69888139
[(3R)-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-yl] acetate
CID 142175386
[(3aS,4R,6aS)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-yl] acetate
CID 10784509
[(1S,6S,7S,8R,11S)-6-[tert-butyl(dimethyl)silyl]oxy-2,10-dioxatricyclo[5.3.1.04,11]undec-4-en-8-yl] acetate
CID 11186867
2-[(3aS,4R,6aR)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethyl acetate
CID 15519457
[(2E)-2-[(2S,6S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethyl] acetate
CID 23246070

Frequently Asked Questions

What is the IUPAC name of (3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-yl) acetate?
The IUPAC name of (3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-yl) acetate (CID 4866796) is (3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-yl) acetate.
What is the SMILES notation for (3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-yl) acetate?
The canonical SMILES for (3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-yl) acetate is C=CCOC1OCC2CC(OC(C)=O)C([Si](C)(C)C)=C21.
What is the InChIKey of (3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-yl) acetate?
The InChIKey is MQNHNLPAXGPWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4Si/c1-6-7-17-15-13-11(9-18-15)8-12(19-10(2)16)14(13)20(3,4)5/h6,11-12,15H,1,7-9H2,2-5H3.
What are the key properties of (3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-yl) acetate?
(3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-yl) acetate has a molecular weight of 296.44 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-yl) acetate is sourced from PubChem (CID 4866796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).