(3aR,6S,6aS)-6-(2-methylprop-1-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

C10H16O3 — CID 163791515

IUPAC(3aR,6S,6aS)-6-(2-methylprop-1-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCC(C)=CO[C@H]1CO[C@@H]2CCO[C@H]12
InChIInChI=1S/C10H16O3/c1-7(2)5-12-9-6-13-8-3-4-11-10(8)9/h5,8-10H,3-4,6H2,1-2H3/t8-,9+,10+/m1/s1
InChIKeyMXEMQTLGZUUGBW-UTLUCORTSA-N
MW184.23 g/mol
LogP1.48
Rot. Bonds2

About (3aR,6S,6aS)-6-(2-methylprop-1-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

(3aR,6S,6aS)-6-(2-methylprop-1-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (PubChem CID 163791515) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (3aR,6S,6aS)-6-(2-methylprop-1-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name(3aR,6S,6aS)-6-(2-methylprop-1-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
PubChem CID163791515
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(3aR,6S,6aS)-6-(2-methylprop-1-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCC(C)=CO[C@H]1CO[C@@H]2CCO[C@H]12
InChIInChI=1S/C10H16O3/c1-7(2)5-12-9-6-13-8-3-4-11-10(8)9/h5,8-10H,3-4,6H2,1-2H3/t8-,9+,10+/m1/s1
InChIKeyMXEMQTLGZUUGBW-UTLUCORTSA-N
XLogP1.48
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3,6-bis[(Z)-prop-1-enoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 69380630
3,6-Bis(prop-1-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 69380631
3,6-Bis(prop-1-en-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 90183127
(3S,3aR,6R,6aR)-3,6-bis(prop-1-en-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 132078444
3-Propan-2-yloxy-6-prop-1-en-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 144631543
2-(2-Methylprop-1-enoxy)-7-oxabicyclo[2.2.1]heptane
CID 152367103
2-[1-(2-Methylprop-1-enoxy)ethyl]oxolane
CID 176605125
(3S,3aS,6R,6aS)-3,6-bis[(E)-prop-1-enoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 101073734
(3R,3aR,6R,6aR)-3-methoxy-6-[(Z)-prop-1-enoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 102000897

Frequently Asked Questions

What is the IUPAC name of (3aR,6S,6aS)-6-(2-methylprop-1-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The IUPAC name of (3aR,6S,6aS)-6-(2-methylprop-1-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (CID 163791515) is (3aR,6S,6aS)-6-(2-methylprop-1-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.
What is the SMILES notation for (3aR,6S,6aS)-6-(2-methylprop-1-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The canonical SMILES for (3aR,6S,6aS)-6-(2-methylprop-1-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is CC(C)=CO[C@H]1CO[C@@H]2CCO[C@H]12.
What is the InChIKey of (3aR,6S,6aS)-6-(2-methylprop-1-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The InChIKey is MXEMQTLGZUUGBW-UTLUCORTSA-N. The full InChI is InChI=1S/C10H16O3/c1-7(2)5-12-9-6-13-8-3-4-11-10(8)9/h5,8-10H,3-4,6H2,1-2H3/t8-,9+,10+/m1/s1.
What are the key properties of (3aR,6S,6aS)-6-(2-methylprop-1-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
(3aR,6S,6aS)-6-(2-methylprop-1-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan has a molecular weight of 184.23 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6S,6aS)-6-(2-methylprop-1-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is sourced from PubChem (CID 163791515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).