3-propan-2-yl-6-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

C12H22O3 — CID 59178155

IUPAC3-propan-2-yl-6-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCC(C)OC1COC2C(C(C)C)COC12
InChIInChI=1S/C12H22O3/c1-7(2)9-5-13-12-10(15-8(3)4)6-14-11(9)12/h7-12H,5-6H2,1-4H3
InChIKeyWOCFXBJWYZTQRB-UHFFFAOYSA-N
MW214.30 g/mol
LogP1.85
Rot. Bonds3

About 3-propan-2-yl-6-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

3-propan-2-yl-6-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (PubChem CID 59178155) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 3-propan-2-yl-6-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name3-propan-2-yl-6-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
PubChem CID59178155
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name3-propan-2-yl-6-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCC(C)OC1COC2C(C(C)C)COC12
InChIInChI=1S/C12H22O3/c1-7(2)9-5-13-12-10(15-8(3)4)6-14-11(9)12/h7-12H,5-6H2,1-4H3
InChIKeyWOCFXBJWYZTQRB-UHFFFAOYSA-N
XLogP1.85
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-6-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The IUPAC name of 3-propan-2-yl-6-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (CID 59178155) is 3-propan-2-yl-6-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.
What is the SMILES notation for 3-propan-2-yl-6-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The canonical SMILES for 3-propan-2-yl-6-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is CC(C)OC1COC2C(C(C)C)COC12.
What is the InChIKey of 3-propan-2-yl-6-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The InChIKey is WOCFXBJWYZTQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-7(2)9-5-13-12-10(15-8(3)4)6-14-11(9)12/h7-12H,5-6H2,1-4H3.
What are the key properties of 3-propan-2-yl-6-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
3-propan-2-yl-6-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan has a molecular weight of 214.30 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-6-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is sourced from PubChem (CID 59178155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).