(2R,4R)-4-methyl-2-[2-(5-methylfuran-2-yl)ethyl]-1,3-dioxolane

C11H16O3 — CID 23272411

IUPAC(2R,4R)-4-methyl-2-[2-(5-methylfuran-2-yl)ethyl]-1,3-dioxolane
SMILESCc1ccc(CC[C@@H]2OC[C@@H](C)O2)o1
InChIInChI=1S/C11H16O3/c1-8-3-4-10(13-8)5-6-11-12-7-9(2)14-11/h3-4,9,11H,5-7H2,1-2H3/t9-,11-/m1/s1
InChIKeyLJKLACMPWCMUBL-MWLCHTKSSA-N
MW196.25 g/mol
LogP2.28
Rot. Bonds3

About (2R,4R)-4-methyl-2-[2-(5-methylfuran-2-yl)ethyl]-1,3-dioxolane

(2R,4R)-4-methyl-2-[2-(5-methylfuran-2-yl)ethyl]-1,3-dioxolane (PubChem CID 23272411) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is (2R,4R)-4-methyl-2-[2-(5-methylfuran-2-yl)ethyl]-1,3-dioxolane.

Molecular Properties

Compound Name(2R,4R)-4-methyl-2-[2-(5-methylfuran-2-yl)ethyl]-1,3-dioxolane
PubChem CID23272411
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name(2R,4R)-4-methyl-2-[2-(5-methylfuran-2-yl)ethyl]-1,3-dioxolane
SMILESCc1ccc(CC[C@@H]2OC[C@@H](C)O2)o1
InChIInChI=1S/C11H16O3/c1-8-3-4-10(13-8)5-6-11-12-7-9(2)14-11/h3-4,9,11H,5-7H2,1-2H3/t9-,11-/m1/s1
InChIKeyLJKLACMPWCMUBL-MWLCHTKSSA-N
XLogP2.28
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-methyl-2-[2-(5-methylfuran-2-yl)ethyl]-1,3-dioxolane?
The IUPAC name of (2R,4R)-4-methyl-2-[2-(5-methylfuran-2-yl)ethyl]-1,3-dioxolane (CID 23272411) is (2R,4R)-4-methyl-2-[2-(5-methylfuran-2-yl)ethyl]-1,3-dioxolane.
What is the SMILES notation for (2R,4R)-4-methyl-2-[2-(5-methylfuran-2-yl)ethyl]-1,3-dioxolane?
The canonical SMILES for (2R,4R)-4-methyl-2-[2-(5-methylfuran-2-yl)ethyl]-1,3-dioxolane is Cc1ccc(CC[C@@H]2OC[C@@H](C)O2)o1.
What is the InChIKey of (2R,4R)-4-methyl-2-[2-(5-methylfuran-2-yl)ethyl]-1,3-dioxolane?
The InChIKey is LJKLACMPWCMUBL-MWLCHTKSSA-N. The full InChI is InChI=1S/C11H16O3/c1-8-3-4-10(13-8)5-6-11-12-7-9(2)14-11/h3-4,9,11H,5-7H2,1-2H3/t9-,11-/m1/s1.
What are the key properties of (2R,4R)-4-methyl-2-[2-(5-methylfuran-2-yl)ethyl]-1,3-dioxolane?
(2R,4R)-4-methyl-2-[2-(5-methylfuran-2-yl)ethyl]-1,3-dioxolane has a molecular weight of 196.25 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-methyl-2-[2-(5-methylfuran-2-yl)ethyl]-1,3-dioxolane is sourced from PubChem (CID 23272411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).