(4aR,7aS)-2,2-dimethyl-4a,7a-dihydro-4H-furo[3,2-d][1,3]dioxine

C8H12O3 — CID 135072242

IUPAC(4aR,7aS)-2,2-dimethyl-4a,7a-dihydro-4H-furo[3,2-d][1,3]dioxine
SMILESCC1(C)OC[C@H]2OC=C[C@@H]2O1
InChIInChI=1S/C8H12O3/c1-8(2)10-5-7-6(11-8)3-4-9-7/h3-4,6-7H,5H2,1-2H3/t6-,7+/m0/s1
InChIKeyZYMUHEKTHPABKT-NKWVEPMBSA-N
MW156.18 g/mol
LogP1.05
Rot. Bonds

About (4aR,7aS)-2,2-dimethyl-4a,7a-dihydro-4H-furo[3,2-d][1,3]dioxine

(4aR,7aS)-2,2-dimethyl-4a,7a-dihydro-4H-furo[3,2-d][1,3]dioxine (PubChem CID 135072242) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (4aR,7aS)-2,2-dimethyl-4a,7a-dihydro-4H-furo[3,2-d][1,3]dioxine.

Molecular Properties

Compound Name(4aR,7aS)-2,2-dimethyl-4a,7a-dihydro-4H-furo[3,2-d][1,3]dioxine
PubChem CID135072242
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(4aR,7aS)-2,2-dimethyl-4a,7a-dihydro-4H-furo[3,2-d][1,3]dioxine
SMILESCC1(C)OC[C@H]2OC=C[C@@H]2O1
InChIInChI=1S/C8H12O3/c1-8(2)10-5-7-6(11-8)3-4-9-7/h3-4,6-7H,5H2,1-2H3/t6-,7+/m0/s1
InChIKeyZYMUHEKTHPABKT-NKWVEPMBSA-N
XLogP1.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4aR,7aS)-2,2-dimethyl-4a,7a-dihydro-4H-furo[3,2-d][1,3]dioxine?
The IUPAC name of (4aR,7aS)-2,2-dimethyl-4a,7a-dihydro-4H-furo[3,2-d][1,3]dioxine (CID 135072242) is (4aR,7aS)-2,2-dimethyl-4a,7a-dihydro-4H-furo[3,2-d][1,3]dioxine.
What is the SMILES notation for (4aR,7aS)-2,2-dimethyl-4a,7a-dihydro-4H-furo[3,2-d][1,3]dioxine?
The canonical SMILES for (4aR,7aS)-2,2-dimethyl-4a,7a-dihydro-4H-furo[3,2-d][1,3]dioxine is CC1(C)OC[C@H]2OC=C[C@@H]2O1.
What is the InChIKey of (4aR,7aS)-2,2-dimethyl-4a,7a-dihydro-4H-furo[3,2-d][1,3]dioxine?
The InChIKey is ZYMUHEKTHPABKT-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H12O3/c1-8(2)10-5-7-6(11-8)3-4-9-7/h3-4,6-7H,5H2,1-2H3/t6-,7+/m0/s1.
What are the key properties of (4aR,7aS)-2,2-dimethyl-4a,7a-dihydro-4H-furo[3,2-d][1,3]dioxine?
(4aR,7aS)-2,2-dimethyl-4a,7a-dihydro-4H-furo[3,2-d][1,3]dioxine has a molecular weight of 156.18 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,7aS)-2,2-dimethyl-4a,7a-dihydro-4H-furo[3,2-d][1,3]dioxine is sourced from PubChem (CID 135072242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).