(3S,6S)-3-methoxy-6-(methoxymethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

C9H16O5 — CID 118967664

IUPAC(3S,6S)-3-methoxy-6-(methoxymethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCOCO[C@H]1COC2C1OC[C@@H]2OC
InChIInChI=1S/C9H16O5/c1-10-5-14-7-4-13-8-6(11-2)3-12-9(7)8/h6-9H,3-5H2,1-2H3/t6-,7-,8?,9?/m0/s1
InChIKeyAFJQJZUPHNWOIJ-MSIFESELSA-N
MW204.22 g/mol
LogP-0.21
Rot. Bonds4

About (3S,6S)-3-methoxy-6-(methoxymethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

(3S,6S)-3-methoxy-6-(methoxymethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (PubChem CID 118967664) has the molecular formula C9H16O5 and a molecular weight of 204.22 g/mol. Its IUPAC name is (3S,6S)-3-methoxy-6-(methoxymethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name(3S,6S)-3-methoxy-6-(methoxymethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
PubChem CID118967664
Molecular FormulaC9H16O5
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name(3S,6S)-3-methoxy-6-(methoxymethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCOCO[C@H]1COC2C1OC[C@@H]2OC
InChIInChI=1S/C9H16O5/c1-10-5-14-7-4-13-8-6(11-2)3-12-9(7)8/h6-9H,3-5H2,1-2H3/t6-,7-,8?,9?/m0/s1
InChIKeyAFJQJZUPHNWOIJ-MSIFESELSA-N
XLogP-0.21
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S,6S)-3-methoxy-6-(methoxymethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The IUPAC name of (3S,6S)-3-methoxy-6-(methoxymethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (CID 118967664) is (3S,6S)-3-methoxy-6-(methoxymethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.
What is the SMILES notation for (3S,6S)-3-methoxy-6-(methoxymethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The canonical SMILES for (3S,6S)-3-methoxy-6-(methoxymethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is COCO[C@H]1COC2C1OC[C@@H]2OC.
What is the InChIKey of (3S,6S)-3-methoxy-6-(methoxymethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The InChIKey is AFJQJZUPHNWOIJ-MSIFESELSA-N. The full InChI is InChI=1S/C9H16O5/c1-10-5-14-7-4-13-8-6(11-2)3-12-9(7)8/h6-9H,3-5H2,1-2H3/t6-,7-,8?,9?/m0/s1.
What are the key properties of (3S,6S)-3-methoxy-6-(methoxymethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
(3S,6S)-3-methoxy-6-(methoxymethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan has a molecular weight of 204.22 g/mol, XLogP of -0.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-3-methoxy-6-(methoxymethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is sourced from PubChem (CID 118967664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).