3-propan-2-yloxy-6-prop-1-en-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

C12H20O4 — CID 144631543

IUPAC3-propan-2-yloxy-6-prop-1-en-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESC=C(C)OC1COC2C(OC(C)C)COC12
InChIInChI=1S/C12H20O4/c1-7(2)15-9-5-13-12-10(16-8(3)4)6-14-11(9)12/h8-12H,1,5-6H2,2-4H3
InChIKeyRROINXPNROZURJ-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.50
Rot. Bonds4

About 3-propan-2-yloxy-6-prop-1-en-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

3-propan-2-yloxy-6-prop-1-en-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (PubChem CID 144631543) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-propan-2-yloxy-6-prop-1-en-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name3-propan-2-yloxy-6-prop-1-en-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
PubChem CID144631543
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name3-propan-2-yloxy-6-prop-1-en-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESC=C(C)OC1COC2C(OC(C)C)COC12
InChIInChI=1S/C12H20O4/c1-7(2)15-9-5-13-12-10(16-8(3)4)6-14-11(9)12/h8-12H,1,5-6H2,2-4H3
InChIKeyRROINXPNROZURJ-UHFFFAOYSA-N
XLogP1.50
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-propan-2-yloxy-6-prop-1-en-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan with MolForge

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Related Compounds

Dimethyl Isosorbide
CID 62990
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
1,4:3,6-Dianhydro-2,5-di-O-methylhexitol
CID 237322
(3R,3aR,6S,6aR)-3,6-Diethoxyhexahydrofuro[3,2-b]furan
CID 68725869
1,4:3,6-Dianhydro-2,5-di-O-propyl-D-glucitol
CID 101525980
3,6-Bis[(propan-2-yl)oxy]hexahydrofuro[3,2-b]furan
CID 139314234
3,6-Bis(ethenoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 21365476
(3aR,6aR)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 59701648
D-Glucitol, 1,4:3,6-dianhydro-2,5-di-O-(1-methylpropyl)-
CID 163360483
(3R,3aR,6S,6aR)-3,6-Bis(2-methylpropoxy)hexahydrofuro[3,2-b]furan
CID 163360484
D-Glucitol, 1,4:3,6-dianhydro-2,5-bis-O-(1-methylethyl)-
CID 163360486

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-6-prop-1-en-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The IUPAC name of 3-propan-2-yloxy-6-prop-1-en-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (CID 144631543) is 3-propan-2-yloxy-6-prop-1-en-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.
What is the SMILES notation for 3-propan-2-yloxy-6-prop-1-en-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The canonical SMILES for 3-propan-2-yloxy-6-prop-1-en-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is C=C(C)OC1COC2C(OC(C)C)COC12.
What is the InChIKey of 3-propan-2-yloxy-6-prop-1-en-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The InChIKey is RROINXPNROZURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c1-7(2)15-9-5-13-12-10(16-8(3)4)6-14-11(9)12/h8-12H,1,5-6H2,2-4H3.
What are the key properties of 3-propan-2-yloxy-6-prop-1-en-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
3-propan-2-yloxy-6-prop-1-en-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan has a molecular weight of 228.29 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-6-prop-1-en-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is sourced from PubChem (CID 144631543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).