(3aS,4R,6S)-2,2,6-trimethyl-4-propan-2-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole

C11H20O3 — CID 58666532

IUPAC(3aS,4R,6S)-2,2,6-trimethyl-4-propan-2-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
SMILESCC(C)[C@H]1O[C@@H](C)C2OC(C)(C)O[C@H]21
InChIInChI=1S/C11H20O3/c1-6(2)8-10-9(7(3)12-8)13-11(4,5)14-10/h6-10H,1-5H3/t7-,8+,9?,10-/m0/s1
InChIKeyVQNRARVFWWWQJQ-WPXGONGXSA-N
MW200.28 g/mol
LogP1.95
Rot. Bonds1

About (3aS,4R,6S)-2,2,6-trimethyl-4-propan-2-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole

(3aS,4R,6S)-2,2,6-trimethyl-4-propan-2-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole (PubChem CID 58666532) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (3aS,4R,6S)-2,2,6-trimethyl-4-propan-2-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole.

Molecular Properties

Compound Name(3aS,4R,6S)-2,2,6-trimethyl-4-propan-2-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
PubChem CID58666532
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(3aS,4R,6S)-2,2,6-trimethyl-4-propan-2-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
SMILESCC(C)[C@H]1O[C@@H](C)C2OC(C)(C)O[C@H]21
InChIInChI=1S/C11H20O3/c1-6(2)8-10-9(7(3)12-8)13-11(4,5)14-10/h6-10H,1-5H3/t7-,8+,9?,10-/m0/s1
InChIKeyVQNRARVFWWWQJQ-WPXGONGXSA-N
XLogP1.95
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aS,4R,6S)-2,2,6-trimethyl-4-propan-2-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
The IUPAC name of (3aS,4R,6S)-2,2,6-trimethyl-4-propan-2-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole (CID 58666532) is (3aS,4R,6S)-2,2,6-trimethyl-4-propan-2-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole.
What is the SMILES notation for (3aS,4R,6S)-2,2,6-trimethyl-4-propan-2-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
The canonical SMILES for (3aS,4R,6S)-2,2,6-trimethyl-4-propan-2-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole is CC(C)[C@H]1O[C@@H](C)C2OC(C)(C)O[C@H]21.
What is the InChIKey of (3aS,4R,6S)-2,2,6-trimethyl-4-propan-2-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
The InChIKey is VQNRARVFWWWQJQ-WPXGONGXSA-N. The full InChI is InChI=1S/C11H20O3/c1-6(2)8-10-9(7(3)12-8)13-11(4,5)14-10/h6-10H,1-5H3/t7-,8+,9?,10-/m0/s1.
What are the key properties of (3aS,4R,6S)-2,2,6-trimethyl-4-propan-2-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
(3aS,4R,6S)-2,2,6-trimethyl-4-propan-2-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole has a molecular weight of 200.28 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4R,6S)-2,2,6-trimethyl-4-propan-2-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole is sourced from PubChem (CID 58666532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).