(3aS,5R,6R,6aS)-6-methoxy-5-(methoxymethyl)-2-phenyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

C14H18O5 — CID 102504528

IUPAC(3aS,5R,6R,6aS)-6-methoxy-5-(methoxymethyl)-2-phenyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
SMILESCOC[C@H]1O[C@H]2OC(c3ccccc3)O[C@H]2[C@@H]1OC
InChIInChI=1S/C14H18O5/c1-15-8-10-11(16-2)12-14(17-10)19-13(18-12)9-6-4-3-5-7-9/h3-7,10-14H,8H2,1-2H3/t10-,11-,12+,13?,14+/m1/s1
InChIKeyHMXLKFVNOUSHSH-YIPFDTCYSA-N
MW266.29 g/mol
LogP1.49
Rot. Bonds4

About (3aS,5R,6R,6aS)-6-methoxy-5-(methoxymethyl)-2-phenyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

(3aS,5R,6R,6aS)-6-methoxy-5-(methoxymethyl)-2-phenyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole (PubChem CID 102504528) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is (3aS,5R,6R,6aS)-6-methoxy-5-(methoxymethyl)-2-phenyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole.

Molecular Properties

Compound Name(3aS,5R,6R,6aS)-6-methoxy-5-(methoxymethyl)-2-phenyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
PubChem CID102504528
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name(3aS,5R,6R,6aS)-6-methoxy-5-(methoxymethyl)-2-phenyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
SMILESCOC[C@H]1O[C@H]2OC(c3ccccc3)O[C@H]2[C@@H]1OC
InChIInChI=1S/C14H18O5/c1-15-8-10-11(16-2)12-14(17-10)19-13(18-12)9-6-4-3-5-7-9/h3-7,10-14H,8H2,1-2H3/t10-,11-,12+,13?,14+/m1/s1
InChIKeyHMXLKFVNOUSHSH-YIPFDTCYSA-N
XLogP1.49
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3aS,5R,6R,6aS)-6-methoxy-5-(methoxymethyl)-2-phenyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The IUPAC name of (3aS,5R,6R,6aS)-6-methoxy-5-(methoxymethyl)-2-phenyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole (CID 102504528) is (3aS,5R,6R,6aS)-6-methoxy-5-(methoxymethyl)-2-phenyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole.
What is the SMILES notation for (3aS,5R,6R,6aS)-6-methoxy-5-(methoxymethyl)-2-phenyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The canonical SMILES for (3aS,5R,6R,6aS)-6-methoxy-5-(methoxymethyl)-2-phenyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole is COC[C@H]1O[C@H]2OC(c3ccccc3)O[C@H]2[C@@H]1OC.
What is the InChIKey of (3aS,5R,6R,6aS)-6-methoxy-5-(methoxymethyl)-2-phenyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The InChIKey is HMXLKFVNOUSHSH-YIPFDTCYSA-N. The full InChI is InChI=1S/C14H18O5/c1-15-8-10-11(16-2)12-14(17-10)19-13(18-12)9-6-4-3-5-7-9/h3-7,10-14H,8H2,1-2H3/t10-,11-,12+,13?,14+/m1/s1.
What are the key properties of (3aS,5R,6R,6aS)-6-methoxy-5-(methoxymethyl)-2-phenyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
(3aS,5R,6R,6aS)-6-methoxy-5-(methoxymethyl)-2-phenyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole has a molecular weight of 266.29 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,5R,6R,6aS)-6-methoxy-5-(methoxymethyl)-2-phenyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole is sourced from PubChem (CID 102504528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).