(3R,3aR,6R,6aR)-3,6-dimethoxy-2-methylidene-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-5-one

C9H12O5 — CID 59968724

IUPAC(3R,3aR,6R,6aR)-3,6-dimethoxy-2-methylidene-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-5-one
SMILESC=C1O[C@@H]2[C@@H](OC(=O)[C@@H]2OC)[C@H]1OC
InChIInChI=1S/C9H12O5/c1-4-5(11-2)6-7(13-4)8(12-3)9(10)14-6/h5-8H,1H2,2-3H3/t5-,6-,7+,8+/m0/s1
InChIKeyRSUFYXXAZWUNSV-RULNZFCNSA-N
MW200.19 g/mol
LogP-0.15
Rot. Bonds2

About (3R,3aR,6R,6aR)-3,6-dimethoxy-2-methylidene-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-5-one

(3R,3aR,6R,6aR)-3,6-dimethoxy-2-methylidene-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-5-one (PubChem CID 59968724) has the molecular formula C9H12O5 and a molecular weight of 200.19 g/mol. Its IUPAC name is (3R,3aR,6R,6aR)-3,6-dimethoxy-2-methylidene-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-5-one.

Molecular Properties

Compound Name(3R,3aR,6R,6aR)-3,6-dimethoxy-2-methylidene-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-5-one
PubChem CID59968724
Molecular FormulaC9H12O5
Molecular Weight200.19 g/mol
Exact Mass200.07
IUPAC Name(3R,3aR,6R,6aR)-3,6-dimethoxy-2-methylidene-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-5-one
SMILESC=C1O[C@@H]2[C@@H](OC(=O)[C@@H]2OC)[C@H]1OC
InChIInChI=1S/C9H12O5/c1-4-5(11-2)6-7(13-4)8(12-3)9(10)14-6/h5-8H,1H2,2-3H3/t5-,6-,7+,8+/m0/s1
InChIKeyRSUFYXXAZWUNSV-RULNZFCNSA-N
XLogP-0.15
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S,3S,4S,5R)-3,4,5-triacetyloxy-6-methylideneoxane-2-carboxylate
CID 164591644
3,6-Dimethoxy-2-methylidene-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-5-one
CID 20687993

Frequently Asked Questions

What is the IUPAC name of (3R,3aR,6R,6aR)-3,6-dimethoxy-2-methylidene-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-5-one?
The IUPAC name of (3R,3aR,6R,6aR)-3,6-dimethoxy-2-methylidene-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-5-one (CID 59968724) is (3R,3aR,6R,6aR)-3,6-dimethoxy-2-methylidene-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-5-one.
What is the SMILES notation for (3R,3aR,6R,6aR)-3,6-dimethoxy-2-methylidene-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-5-one?
The canonical SMILES for (3R,3aR,6R,6aR)-3,6-dimethoxy-2-methylidene-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-5-one is C=C1O[C@@H]2[C@@H](OC(=O)[C@@H]2OC)[C@H]1OC.
What is the InChIKey of (3R,3aR,6R,6aR)-3,6-dimethoxy-2-methylidene-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-5-one?
The InChIKey is RSUFYXXAZWUNSV-RULNZFCNSA-N. The full InChI is InChI=1S/C9H12O5/c1-4-5(11-2)6-7(13-4)8(12-3)9(10)14-6/h5-8H,1H2,2-3H3/t5-,6-,7+,8+/m0/s1.
What are the key properties of (3R,3aR,6R,6aR)-3,6-dimethoxy-2-methylidene-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-5-one?
(3R,3aR,6R,6aR)-3,6-dimethoxy-2-methylidene-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-5-one has a molecular weight of 200.19 g/mol, XLogP of -0.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,6R,6aR)-3,6-dimethoxy-2-methylidene-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-5-one is sourced from PubChem (CID 59968724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).