(3aR,5R,6S,6aR)-6-[(2,6-dimethylphenyl)methoxy]-5-ethyl-2-methyl-2-propan-2-yl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

C20H30O4 — CID 22825426

IUPAC(3aR,5R,6S,6aR)-6-[(2,6-dimethylphenyl)methoxy]-5-ethyl-2-methyl-2-propan-2-yl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
SMILESCC[C@H]1O[C@@H]2OC(C)(C(C)C)O[C@@H]2[C@H]1OCc1c(C)cccc1C
InChIInChI=1S/C20H30O4/c1-7-16-17(21-11-15-13(4)9-8-10-14(15)5)18-19(22-16)24-20(6,23-18)12(2)3/h8-10,12,16-19H,7,11H2,1-6H3/t16-,17+,18-,19-,20?/m1/s1
InChIKeyACZMAPXTJKVJPY-XBYSNUDESA-N
MW334.46 g/mol
LogP4.11
Rot. Bonds5

About (3aR,5R,6S,6aR)-6-[(2,6-dimethylphenyl)methoxy]-5-ethyl-2-methyl-2-propan-2-yl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

(3aR,5R,6S,6aR)-6-[(2,6-dimethylphenyl)methoxy]-5-ethyl-2-methyl-2-propan-2-yl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole (PubChem CID 22825426) has the molecular formula C20H30O4 and a molecular weight of 334.46 g/mol. Its IUPAC name is (3aR,5R,6S,6aR)-6-[(2,6-dimethylphenyl)methoxy]-5-ethyl-2-methyl-2-propan-2-yl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole.

Molecular Properties

Compound Name(3aR,5R,6S,6aR)-6-[(2,6-dimethylphenyl)methoxy]-5-ethyl-2-methyl-2-propan-2-yl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
PubChem CID22825426
Molecular FormulaC20H30O4
Molecular Weight334.46 g/mol
Exact Mass334.21
IUPAC Name(3aR,5R,6S,6aR)-6-[(2,6-dimethylphenyl)methoxy]-5-ethyl-2-methyl-2-propan-2-yl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
SMILESCC[C@H]1O[C@@H]2OC(C)(C(C)C)O[C@@H]2[C@H]1OCc1c(C)cccc1C
InChIInChI=1S/C20H30O4/c1-7-16-17(21-11-15-13(4)9-8-10-14(15)5)18-19(22-16)24-20(6,23-18)12(2)3/h8-10,12,16-19H,7,11H2,1-6H3/t16-,17+,18-,19-,20?/m1/s1
InChIKeyACZMAPXTJKVJPY-XBYSNUDESA-N
XLogP4.11
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3aR,5R,6S,6aR)-6-[(2,6-dimethylphenyl)methoxy]-5-ethyl-2-methyl-2-propan-2-yl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole with MolForge

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Related Compounds

(3aR,5R,6S,6aR)-2,5-diethyl-6-[(2-methoxyphenyl)methoxy]-2-methyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 22825464
(3aR,5R,6S,6aR)-5-ethyl-2-(fluoromethyl)-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 18597759
(3aR,5R,6S,6aR)-5-butyl-6-[(2,6-dimethylphenyl)methoxy]-2-phenyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 54321309
(3aR,5R,6S,6aR)-6-[(2-chlorophenyl)methoxy]-2,2-dimethyl-5-(2-methylpropyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 22825519
(3aR,5R,6S,6aR)-5-ethyl-2-(fluoromethyl)-6-[(3-methoxyfuran-2-yl)methoxy]-2-methyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 18597755
(3aR,5R,6S,6aR)-2-methyl-2-propan-2-yl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 54483492
(3aR,5R,6S,6aR)-5-ethyl-6-(furan-3-ylmethoxy)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]
CID 18597827
(3aS,5R,6S)-2,2-dimethyl-6-phenylmethoxy-5-(phenylmethoxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 59426783
3-[(3aR,5R,6R,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[[(3aR,5R,6R,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]propanenitrile
CID 10415501
[(5R,6S,6aR)-5-ethyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] benzenecarboperoxoate
CID 20848805
(3aR,5R,6S,6aR)-6-ethoxy-2,2-dimethyl-5-(trityloxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 25178586
(2R,3S,3aS,9bR)-2-ethyl-9-methoxy-5-methyl-3-[(2-methylphenyl)methoxy]-3,3a,5,9b-tetrahydro-2H-furo[3,2-c]isochromene
CID 56625680

Frequently Asked Questions

What is the IUPAC name of (3aR,5R,6S,6aR)-6-[(2,6-dimethylphenyl)methoxy]-5-ethyl-2-methyl-2-propan-2-yl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The IUPAC name of (3aR,5R,6S,6aR)-6-[(2,6-dimethylphenyl)methoxy]-5-ethyl-2-methyl-2-propan-2-yl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole (CID 22825426) is (3aR,5R,6S,6aR)-6-[(2,6-dimethylphenyl)methoxy]-5-ethyl-2-methyl-2-propan-2-yl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole.
What is the SMILES notation for (3aR,5R,6S,6aR)-6-[(2,6-dimethylphenyl)methoxy]-5-ethyl-2-methyl-2-propan-2-yl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The canonical SMILES for (3aR,5R,6S,6aR)-6-[(2,6-dimethylphenyl)methoxy]-5-ethyl-2-methyl-2-propan-2-yl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole is CC[C@H]1O[C@@H]2OC(C)(C(C)C)O[C@@H]2[C@H]1OCc1c(C)cccc1C.
What is the InChIKey of (3aR,5R,6S,6aR)-6-[(2,6-dimethylphenyl)methoxy]-5-ethyl-2-methyl-2-propan-2-yl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The InChIKey is ACZMAPXTJKVJPY-XBYSNUDESA-N. The full InChI is InChI=1S/C20H30O4/c1-7-16-17(21-11-15-13(4)9-8-10-14(15)5)18-19(22-16)24-20(6,23-18)12(2)3/h8-10,12,16-19H,7,11H2,1-6H3/t16-,17+,18-,19-,20?/m1/s1.
What are the key properties of (3aR,5R,6S,6aR)-6-[(2,6-dimethylphenyl)methoxy]-5-ethyl-2-methyl-2-propan-2-yl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
(3aR,5R,6S,6aR)-6-[(2,6-dimethylphenyl)methoxy]-5-ethyl-2-methyl-2-propan-2-yl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole has a molecular weight of 334.46 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,6S,6aR)-6-[(2,6-dimethylphenyl)methoxy]-5-ethyl-2-methyl-2-propan-2-yl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole is sourced from PubChem (CID 22825426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).