1-[(5S)-6-(2-methoxypropan-2-yloxy)-2,2,5-trimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-3a-yl]ethanone

C14H24O6 — CID 142879769

IUPAC1-[(5S)-6-(2-methoxypropan-2-yloxy)-2,2,5-trimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-3a-yl]ethanone
SMILESCOC(C)(C)OC1C2OC(C)(C)OC2(C(C)=O)O[C@H]1C
InChIInChI=1S/C14H24O6/c1-8-10(18-12(3,4)16-7)11-14(17-8,9(2)15)20-13(5,6)19-11/h8,10-11H,1-7H3/t8-,10?,11?,14?/m0/s1
InChIKeyWAXFRRWIJWBCMQ-JSNPKQACSA-N
MW288.34 g/mol
LogP1.61
Rot. Bonds4

About 1-[(5S)-6-(2-methoxypropan-2-yloxy)-2,2,5-trimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-3a-yl]ethanone

1-[(5S)-6-(2-methoxypropan-2-yloxy)-2,2,5-trimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-3a-yl]ethanone (PubChem CID 142879769) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is 1-[(5S)-6-(2-methoxypropan-2-yloxy)-2,2,5-trimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-3a-yl]ethanone.

Molecular Properties

Compound Name1-[(5S)-6-(2-methoxypropan-2-yloxy)-2,2,5-trimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-3a-yl]ethanone
PubChem CID142879769
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name1-[(5S)-6-(2-methoxypropan-2-yloxy)-2,2,5-trimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-3a-yl]ethanone
SMILESCOC(C)(C)OC1C2OC(C)(C)OC2(C(C)=O)O[C@H]1C
InChIInChI=1S/C14H24O6/c1-8-10(18-12(3,4)16-7)11-14(17-8,9(2)15)20-13(5,6)19-11/h8,10-11H,1-7H3/t8-,10?,11?,14?/m0/s1
InChIKeyWAXFRRWIJWBCMQ-JSNPKQACSA-N
XLogP1.61
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(5S)-6-(2-methoxypropan-2-yloxy)-2,2,5-trimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-3a-yl]ethanone?
The IUPAC name of 1-[(5S)-6-(2-methoxypropan-2-yloxy)-2,2,5-trimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-3a-yl]ethanone (CID 142879769) is 1-[(5S)-6-(2-methoxypropan-2-yloxy)-2,2,5-trimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-3a-yl]ethanone.
What is the SMILES notation for 1-[(5S)-6-(2-methoxypropan-2-yloxy)-2,2,5-trimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-3a-yl]ethanone?
The canonical SMILES for 1-[(5S)-6-(2-methoxypropan-2-yloxy)-2,2,5-trimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-3a-yl]ethanone is COC(C)(C)OC1C2OC(C)(C)OC2(C(C)=O)O[C@H]1C.
What is the InChIKey of 1-[(5S)-6-(2-methoxypropan-2-yloxy)-2,2,5-trimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-3a-yl]ethanone?
The InChIKey is WAXFRRWIJWBCMQ-JSNPKQACSA-N. The full InChI is InChI=1S/C14H24O6/c1-8-10(18-12(3,4)16-7)11-14(17-8,9(2)15)20-13(5,6)19-11/h8,10-11H,1-7H3/t8-,10?,11?,14?/m0/s1.
What are the key properties of 1-[(5S)-6-(2-methoxypropan-2-yloxy)-2,2,5-trimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-3a-yl]ethanone?
1-[(5S)-6-(2-methoxypropan-2-yloxy)-2,2,5-trimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-3a-yl]ethanone has a molecular weight of 288.34 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5S)-6-(2-methoxypropan-2-yloxy)-2,2,5-trimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-3a-yl]ethanone is sourced from PubChem (CID 142879769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).