(4aS,7R,7aS)-2,2-diethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol

C10H18O4 — CID 67888582

IUPAC(4aS,7R,7aS)-2,2-diethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol
SMILESCCC1(CC)OC[C@@H]2OC[C@@H](O)[C@@H]2O1
InChIInChI=1S/C10H18O4/c1-3-10(4-2)13-6-8-9(14-10)7(11)5-12-8/h7-9,11H,3-6H2,1-2H3/t7-,8+,9+/m1/s1
InChIKeyYOICUKMEXCFJSQ-VGMNWLOBSA-N
MW202.25 g/mol
LogP0.68
Rot. Bonds2

About (4aS,7R,7aS)-2,2-diethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol

(4aS,7R,7aS)-2,2-diethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol (PubChem CID 67888582) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is (4aS,7R,7aS)-2,2-diethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol.

Molecular Properties

Compound Name(4aS,7R,7aS)-2,2-diethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol
PubChem CID67888582
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name(4aS,7R,7aS)-2,2-diethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol
SMILESCCC1(CC)OC[C@@H]2OC[C@@H](O)[C@@H]2O1
InChIInChI=1S/C10H18O4/c1-3-10(4-2)13-6-8-9(14-10)7(11)5-12-8/h7-9,11H,3-6H2,1-2H3/t7-,8+,9+/m1/s1
InChIKeyYOICUKMEXCFJSQ-VGMNWLOBSA-N
XLogP0.68
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4aS,7R,7aS)-2,2-diethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol?
The IUPAC name of (4aS,7R,7aS)-2,2-diethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol (CID 67888582) is (4aS,7R,7aS)-2,2-diethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol.
What is the SMILES notation for (4aS,7R,7aS)-2,2-diethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol?
The canonical SMILES for (4aS,7R,7aS)-2,2-diethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol is CCC1(CC)OC[C@@H]2OC[C@@H](O)[C@@H]2O1.
What is the InChIKey of (4aS,7R,7aS)-2,2-diethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol?
The InChIKey is YOICUKMEXCFJSQ-VGMNWLOBSA-N. The full InChI is InChI=1S/C10H18O4/c1-3-10(4-2)13-6-8-9(14-10)7(11)5-12-8/h7-9,11H,3-6H2,1-2H3/t7-,8+,9+/m1/s1.
What are the key properties of (4aS,7R,7aS)-2,2-diethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol?
(4aS,7R,7aS)-2,2-diethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol has a molecular weight of 202.25 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,7R,7aS)-2,2-diethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol is sourced from PubChem (CID 67888582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).