(3R,3aR,6R,6aR)-3-methoxy-6-[(Z)-prop-1-enoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

C10H16O4 — CID 102000897

IUPAC(3R,3aR,6R,6aR)-3-methoxy-6-[(Z)-prop-1-enoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESC/C=C\O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2OC
InChIInChI=1S/C10H16O4/c1-3-4-12-8-6-14-9-7(11-2)5-13-10(8)9/h3-4,7-10H,5-6H2,1-2H3/b4-3-/t7-,8-,9-,10-/m1/s1
InChIKeyVHTOEVFHNBPVLM-RQRGRJPXSA-N
MW200.23 g/mol
LogP0.72
Rot. Bonds3

About (3R,3aR,6R,6aR)-3-methoxy-6-[(Z)-prop-1-enoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

(3R,3aR,6R,6aR)-3-methoxy-6-[(Z)-prop-1-enoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (PubChem CID 102000897) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (3R,3aR,6R,6aR)-3-methoxy-6-[(Z)-prop-1-enoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name(3R,3aR,6R,6aR)-3-methoxy-6-[(Z)-prop-1-enoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
PubChem CID102000897
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(3R,3aR,6R,6aR)-3-methoxy-6-[(Z)-prop-1-enoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESC/C=C\O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2OC
InChIInChI=1S/C10H16O4/c1-3-4-12-8-6-14-9-7(11-2)5-13-10(8)9/h3-4,7-10H,5-6H2,1-2H3/b4-3-/t7-,8-,9-,10-/m1/s1
InChIKeyVHTOEVFHNBPVLM-RQRGRJPXSA-N
XLogP0.72
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R,3aR,6R,6aR)-3-methoxy-6-[(Z)-prop-1-enoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan with MolForge

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Related Compounds

3,6-Bis(allyloxy)hexahydrofuro[3,2-b]furan
CID 237323
(3S,3aR,6R,6aR)-3,6-bis(prop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 11831112
5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-[(E)-prop-1-enoxy]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 6392479
3,6-Bis(ethenoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 21365476
(3S,3aR,6R,6aR)-3,6-bis(ethenoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 66760273
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
(3R,3aR,6R,6aR)-3,6-Bis(allyloxy)hexahydrofuro[3,2-b]furan
CID 90017848
(3S,3aR,6S,6aR)-3,6-bis(prop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 90018897
3,6-Bis(prop-1-en-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 90183127
(3S,6R)-3,6-bis(prop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 90211695
(3S,6R)-3,6-bis(ethenoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 90211697

Frequently Asked Questions

What is the IUPAC name of (3R,3aR,6R,6aR)-3-methoxy-6-[(Z)-prop-1-enoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The IUPAC name of (3R,3aR,6R,6aR)-3-methoxy-6-[(Z)-prop-1-enoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (CID 102000897) is (3R,3aR,6R,6aR)-3-methoxy-6-[(Z)-prop-1-enoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.
What is the SMILES notation for (3R,3aR,6R,6aR)-3-methoxy-6-[(Z)-prop-1-enoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The canonical SMILES for (3R,3aR,6R,6aR)-3-methoxy-6-[(Z)-prop-1-enoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is C/C=C\O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2OC.
What is the InChIKey of (3R,3aR,6R,6aR)-3-methoxy-6-[(Z)-prop-1-enoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The InChIKey is VHTOEVFHNBPVLM-RQRGRJPXSA-N. The full InChI is InChI=1S/C10H16O4/c1-3-4-12-8-6-14-9-7(11-2)5-13-10(8)9/h3-4,7-10H,5-6H2,1-2H3/b4-3-/t7-,8-,9-,10-/m1/s1.
What are the key properties of (3R,3aR,6R,6aR)-3-methoxy-6-[(Z)-prop-1-enoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
(3R,3aR,6R,6aR)-3-methoxy-6-[(Z)-prop-1-enoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan has a molecular weight of 200.23 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,6R,6aR)-3-methoxy-6-[(Z)-prop-1-enoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is sourced from PubChem (CID 102000897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).