3'-(2-methylpropyl)spiro[1,3-dioxolane-2,6'-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan]

C12H20O4 — CID 59333280

IUPAC3'-(2-methylpropyl)spiro[1,3-dioxolane-2,6'-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan]
SMILESCC(C)CC1COC2C1OCC21OCCO1
InChIInChI=1S/C12H20O4/c1-8(2)5-9-6-13-11-10(9)14-7-12(11)15-3-4-16-12/h8-11H,3-7H2,1-2H3
InChIKeyCMAQDJZFNWOMMG-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.19
Rot. Bonds2

About 3'-(2-methylpropyl)spiro[1,3-dioxolane-2,6'-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan]

3'-(2-methylpropyl)spiro[1,3-dioxolane-2,6'-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan] (PubChem CID 59333280) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3'-(2-methylpropyl)spiro[1,3-dioxolane-2,6'-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan].

Molecular Properties

Compound Name3'-(2-methylpropyl)spiro[1,3-dioxolane-2,6'-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan]
PubChem CID59333280
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name3'-(2-methylpropyl)spiro[1,3-dioxolane-2,6'-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan]
SMILESCC(C)CC1COC2C1OCC21OCCO1
InChIInChI=1S/C12H20O4/c1-8(2)5-9-6-13-11-10(9)14-7-12(11)15-3-4-16-12/h8-11H,3-7H2,1-2H3
InChIKeyCMAQDJZFNWOMMG-UHFFFAOYSA-N
XLogP1.19
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3'-(2-methylpropyl)spiro[1,3-dioxolane-2,6'-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3'-(2-methylpropyl)spiro[1,3-dioxolane-2,6'-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan]?
The IUPAC name of 3'-(2-methylpropyl)spiro[1,3-dioxolane-2,6'-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan] (CID 59333280) is 3'-(2-methylpropyl)spiro[1,3-dioxolane-2,6'-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan].
What is the SMILES notation for 3'-(2-methylpropyl)spiro[1,3-dioxolane-2,6'-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan]?
The canonical SMILES for 3'-(2-methylpropyl)spiro[1,3-dioxolane-2,6'-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan] is CC(C)CC1COC2C1OCC21OCCO1.
What is the InChIKey of 3'-(2-methylpropyl)spiro[1,3-dioxolane-2,6'-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan]?
The InChIKey is CMAQDJZFNWOMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c1-8(2)5-9-6-13-11-10(9)14-7-12(11)15-3-4-16-12/h8-11H,3-7H2,1-2H3.
What are the key properties of 3'-(2-methylpropyl)spiro[1,3-dioxolane-2,6'-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan]?
3'-(2-methylpropyl)spiro[1,3-dioxolane-2,6'-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan] has a molecular weight of 228.29 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(2-methylpropyl)spiro[1,3-dioxolane-2,6'-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan] is sourced from PubChem (CID 59333280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).