3-tert-butyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol

C10H18O3 — CID 20793012

IUPAC3-tert-butyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
SMILESCC(C)(C)C1COC2C(O)COC21
InChIInChI=1S/C10H18O3/c1-10(2,3)6-4-12-9-7(11)5-13-8(6)9/h6-9,11H,4-5H2,1-3H3
InChIKeyHNRMDLFCHWMBBU-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.81
Rot. Bonds

About 3-tert-butyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol

3-tert-butyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol (PubChem CID 20793012) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-tert-butyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol.

Molecular Properties

Compound Name3-tert-butyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
PubChem CID20793012
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name3-tert-butyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
SMILESCC(C)(C)C1COC2C(O)COC21
InChIInChI=1S/C10H18O3/c1-10(2,3)6-4-12-9-7(11)5-13-8(6)9/h6-9,11H,4-5H2,1-3H3
InChIKeyHNRMDLFCHWMBBU-UHFFFAOYSA-N
XLogP0.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
The IUPAC name of 3-tert-butyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol (CID 20793012) is 3-tert-butyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol.
What is the SMILES notation for 3-tert-butyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
The canonical SMILES for 3-tert-butyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol is CC(C)(C)C1COC2C(O)COC21.
What is the InChIKey of 3-tert-butyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
The InChIKey is HNRMDLFCHWMBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-10(2,3)6-4-12-9-7(11)5-13-8(6)9/h6-9,11H,4-5H2,1-3H3.
What are the key properties of 3-tert-butyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
3-tert-butyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol has a molecular weight of 186.25 g/mol, XLogP of 0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol is sourced from PubChem (CID 20793012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).