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

C13H22O4 — CID 70645184

IUPAC3'-(2-methylbutyl)spiro[1,3-dioxolane-2,6'-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan]
SMILESCCC(C)CC1COC2C1OCC21OCCO1
InChIInChI=1S/C13H22O4/c1-3-9(2)6-10-7-14-12-11(10)15-8-13(12)16-4-5-17-13/h9-12H,3-8H2,1-2H3
InChIKeyFHRPZPLGHKGHQO-UHFFFAOYSA-N
MW242.31 g/mol
LogP1.58
Rot. Bonds3

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

3'-(2-methylbutyl)spiro[1,3-dioxolane-2,6'-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan] (PubChem CID 70645184) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is 3'-(2-methylbutyl)spiro[1,3-dioxolane-2,6'-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan].

Molecular Properties

Compound Name3'-(2-methylbutyl)spiro[1,3-dioxolane-2,6'-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan]
PubChem CID70645184
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name3'-(2-methylbutyl)spiro[1,3-dioxolane-2,6'-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan]
SMILESCCC(C)CC1COC2C1OCC21OCCO1
InChIInChI=1S/C13H22O4/c1-3-9(2)6-10-7-14-12-11(10)15-8-13(12)16-4-5-17-13/h9-12H,3-8H2,1-2H3
InChIKeyFHRPZPLGHKGHQO-UHFFFAOYSA-N
XLogP1.58
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3'-(2-methylbutyl)spiro[1,3-dioxolane-2,6'-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan]?
The IUPAC name of 3'-(2-methylbutyl)spiro[1,3-dioxolane-2,6'-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan] (CID 70645184) is 3'-(2-methylbutyl)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-methylbutyl)spiro[1,3-dioxolane-2,6'-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan]?
The canonical SMILES for 3'-(2-methylbutyl)spiro[1,3-dioxolane-2,6'-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan] is CCC(C)CC1COC2C1OCC21OCCO1.
What is the InChIKey of 3'-(2-methylbutyl)spiro[1,3-dioxolane-2,6'-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan]?
The InChIKey is FHRPZPLGHKGHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4/c1-3-9(2)6-10-7-14-12-11(10)15-8-13(12)16-4-5-17-13/h9-12H,3-8H2,1-2H3.
What are the key properties of 3'-(2-methylbutyl)spiro[1,3-dioxolane-2,6'-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan]?
3'-(2-methylbutyl)spiro[1,3-dioxolane-2,6'-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan] has a molecular weight of 242.31 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(2-methylbutyl)spiro[1,3-dioxolane-2,6'-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan] is sourced from PubChem (CID 70645184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).