(3aR,4R,6R,6aR)-6-ethyl-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole

C10H18O4 — CID 118442029

IUPAC(3aR,4R,6R,6aR)-6-ethyl-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
SMILESCC[C@H]1O[C@@H](OC)[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C10H18O4/c1-5-6-7-8(9(11-4)12-6)14-10(2,3)13-7/h6-9H,5H2,1-4H3/t6-,7-,8-,9-/m1/s1
InChIKeyDBNMQYQWKXCMON-FNCVBFRFSA-N
MW202.25 g/mol
LogP1.29
Rot. Bonds2

About (3aR,4R,6R,6aR)-6-ethyl-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole

(3aR,4R,6R,6aR)-6-ethyl-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole (PubChem CID 118442029) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is (3aR,4R,6R,6aR)-6-ethyl-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole.

Molecular Properties

Compound Name(3aR,4R,6R,6aR)-6-ethyl-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
PubChem CID118442029
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name(3aR,4R,6R,6aR)-6-ethyl-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
SMILESCC[C@H]1O[C@@H](OC)[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C10H18O4/c1-5-6-7-8(9(11-4)12-6)14-10(2,3)13-7/h6-9H,5H2,1-4H3/t6-,7-,8-,9-/m1/s1
InChIKeyDBNMQYQWKXCMON-FNCVBFRFSA-N
XLogP1.29
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3aR,4R,6R,6aR)-6-ethyl-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
The IUPAC name of (3aR,4R,6R,6aR)-6-ethyl-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole (CID 118442029) is (3aR,4R,6R,6aR)-6-ethyl-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole.
What is the SMILES notation for (3aR,4R,6R,6aR)-6-ethyl-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
The canonical SMILES for (3aR,4R,6R,6aR)-6-ethyl-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole is CC[C@H]1O[C@@H](OC)[C@@H]2OC(C)(C)O[C@@H]21.
What is the InChIKey of (3aR,4R,6R,6aR)-6-ethyl-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
The InChIKey is DBNMQYQWKXCMON-FNCVBFRFSA-N. The full InChI is InChI=1S/C10H18O4/c1-5-6-7-8(9(11-4)12-6)14-10(2,3)13-7/h6-9H,5H2,1-4H3/t6-,7-,8-,9-/m1/s1.
What are the key properties of (3aR,4R,6R,6aR)-6-ethyl-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
(3aR,4R,6R,6aR)-6-ethyl-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole has a molecular weight of 202.25 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R,6R,6aR)-6-ethyl-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole is sourced from PubChem (CID 118442029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).