(4R,4aS,7R,7aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-methoxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one

C14H22O7 — CID 10638082

IUPAC(4R,4aS,7R,7aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-methoxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
SMILESCO[C@H]1C(=O)O[C@@H]2[C@H]1OC(C)(C)O[C@@H]2[C@H]1COC(C)(C)O1
InChIInChI=1S/C14H22O7/c1-13(2)17-6-7(19-13)8-9-10(21-14(3,4)20-8)11(16-5)12(15)18-9/h7-11H,6H2,1-5H3/t7-,8-,9+,10-,11-/m1/s1
InChIKeyGXDXTOHBVRXSCF-KAMPLNKDSA-N
MW302.32 g/mol
LogP0.60
Rot. Bonds2

About (4R,4aS,7R,7aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-methoxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one

(4R,4aS,7R,7aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-methoxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one (PubChem CID 10638082) has the molecular formula C14H22O7 and a molecular weight of 302.32 g/mol. Its IUPAC name is (4R,4aS,7R,7aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-methoxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one.

Molecular Properties

Compound Name(4R,4aS,7R,7aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-methoxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
PubChem CID10638082
Molecular FormulaC14H22O7
Molecular Weight302.32 g/mol
Exact Mass302.14
IUPAC Name(4R,4aS,7R,7aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-methoxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
SMILESCO[C@H]1C(=O)O[C@@H]2[C@H]1OC(C)(C)O[C@@H]2[C@H]1COC(C)(C)O1
InChIInChI=1S/C14H22O7/c1-13(2)17-6-7(19-13)8-9-10(21-14(3,4)20-8)11(16-5)12(15)18-9/h7-11H,6H2,1-5H3/t7-,8-,9+,10-,11-/m1/s1
InChIKeyGXDXTOHBVRXSCF-KAMPLNKDSA-N
XLogP0.60
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4R,4aS,7R,7aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-methoxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R,4aS,7R,7aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-methoxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one?
The IUPAC name of (4R,4aS,7R,7aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-methoxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one (CID 10638082) is (4R,4aS,7R,7aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-methoxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one.
What is the SMILES notation for (4R,4aS,7R,7aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-methoxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one?
The canonical SMILES for (4R,4aS,7R,7aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-methoxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one is CO[C@H]1C(=O)O[C@@H]2[C@H]1OC(C)(C)O[C@@H]2[C@H]1COC(C)(C)O1.
What is the InChIKey of (4R,4aS,7R,7aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-methoxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one?
The InChIKey is GXDXTOHBVRXSCF-KAMPLNKDSA-N. The full InChI is InChI=1S/C14H22O7/c1-13(2)17-6-7(19-13)8-9-10(21-14(3,4)20-8)11(16-5)12(15)18-9/h7-11H,6H2,1-5H3/t7-,8-,9+,10-,11-/m1/s1.
What are the key properties of (4R,4aS,7R,7aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-methoxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one?
(4R,4aS,7R,7aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-methoxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one has a molecular weight of 302.32 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,4aS,7R,7aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-methoxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one is sourced from PubChem (CID 10638082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).