(4R)-4,8-diethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine

C10H18O4 — CID 58960567

IUPAC(4R)-4,8-diethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
SMILESCCC1OCOC2C1OCO[C@@H]2CC
InChIInChI=1S/C10H18O4/c1-3-7-9-10(14-5-11-7)8(4-2)12-6-13-9/h7-10H,3-6H2,1-2H3/t7-,8?,9?,10?/m1/s1
InChIKeyGPVZRIRLCYZNLG-QVNBGCGHSA-N
MW202.25 g/mol
LogP1.29
Rot. Bonds2

About (4R)-4,8-diethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine

(4R)-4,8-diethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine (PubChem CID 58960567) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is (4R)-4,8-diethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine.

Molecular Properties

Compound Name(4R)-4,8-diethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
PubChem CID58960567
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name(4R)-4,8-diethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
SMILESCCC1OCOC2C1OCO[C@@H]2CC
InChIInChI=1S/C10H18O4/c1-3-7-9-10(14-5-11-7)8(4-2)12-6-13-9/h7-10H,3-6H2,1-2H3/t7-,8?,9?,10?/m1/s1
InChIKeyGPVZRIRLCYZNLG-QVNBGCGHSA-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 (4R)-4,8-diethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine?
The IUPAC name of (4R)-4,8-diethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine (CID 58960567) is (4R)-4,8-diethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine.
What is the SMILES notation for (4R)-4,8-diethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine?
The canonical SMILES for (4R)-4,8-diethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine is CCC1OCOC2C1OCO[C@@H]2CC.
What is the InChIKey of (4R)-4,8-diethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine?
The InChIKey is GPVZRIRLCYZNLG-QVNBGCGHSA-N. The full InChI is InChI=1S/C10H18O4/c1-3-7-9-10(14-5-11-7)8(4-2)12-6-13-9/h7-10H,3-6H2,1-2H3/t7-,8?,9?,10?/m1/s1.
What are the key properties of (4R)-4,8-diethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine?
(4R)-4,8-diethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine 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 (4R)-4,8-diethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine is sourced from PubChem (CID 58960567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).