(3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;3-prop-2-enoxyprop-1-ene

C12H20O5 — CID 66745685

IUPAC(3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC=C.O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O
InChIInChI=1S/C6H10O4.C6H10O/c7-3-1-9-6-4(8)2-10-5(3)6;1-3-5-7-6-4-2/h3-8H,1-2H2;3-4H,1-2,5-6H2/t3-,4+,5-,6-;/m1./s1
InChIKeyWWSQGSCPAQYODR-VFQQELCFSA-N
MW244.29 g/mol
LogP-0.12
Rot. Bonds4

About (3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;3-prop-2-enoxyprop-1-ene

(3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;3-prop-2-enoxyprop-1-ene (PubChem CID 66745685) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is (3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;3-prop-2-enoxyprop-1-ene.

Molecular Properties

Compound Name(3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;3-prop-2-enoxyprop-1-ene
PubChem CID66745685
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Name(3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC=C.O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O
InChIInChI=1S/C6H10O4.C6H10O/c7-3-1-9-6-4(8)2-10-5(3)6;1-3-5-7-6-4-2/h3-8H,1-2H2;3-4H,1-2,5-6H2/t3-,4+,5-,6-;/m1./s1
InChIKeyWWSQGSCPAQYODR-VFQQELCFSA-N
XLogP-0.12
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;3-prop-2-enoxyprop-1-ene 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
(2R,3R,4R,5R)-3,4-bis(prop-2-enoxy)hexane-1,2,5,6-tetrol
CID 12660648
(2R,3R,4R,5S)-3,4,5,6-tetrakis(prop-2-enoxy)hexane-1,2-diol
CID 20746280
Jnwsovljnporrk-bznpzcimsa-
CID 10921232
Jnwsovljnporrk-jqcxwylxsa-
CID 10932145
Jnwsovljnporrk-rbxmudonsa-
CID 14307950
(1R)-1-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 10890622
(3aR,5R,6S,6aR)-5-[(1R)-1-hydroxy-2-prop-2-enoxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 11414284
1-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 11737055
[(3aR,4S,6R,6aS)-4-ethenyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
CID 134852418
1-[(3aS,4S,6R,6aS)-2,2-dimethyl-4-prop-2-enoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethane-1,2-diol
CID 134882879

Frequently Asked Questions

What is the IUPAC name of (3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;3-prop-2-enoxyprop-1-ene?
The IUPAC name of (3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;3-prop-2-enoxyprop-1-ene (CID 66745685) is (3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;3-prop-2-enoxyprop-1-ene.
What is the SMILES notation for (3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;3-prop-2-enoxyprop-1-ene?
The canonical SMILES for (3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;3-prop-2-enoxyprop-1-ene is C=CCOCC=C.O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O.
What is the InChIKey of (3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;3-prop-2-enoxyprop-1-ene?
The InChIKey is WWSQGSCPAQYODR-VFQQELCFSA-N. The full InChI is InChI=1S/C6H10O4.C6H10O/c7-3-1-9-6-4(8)2-10-5(3)6;1-3-5-7-6-4-2/h3-8H,1-2H2;3-4H,1-2,5-6H2/t3-,4+,5-,6-;/m1./s1.
What are the key properties of (3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;3-prop-2-enoxyprop-1-ene?
(3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;3-prop-2-enoxyprop-1-ene has a molecular weight of 244.29 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;3-prop-2-enoxyprop-1-ene is sourced from PubChem (CID 66745685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).