(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-6-prop-2-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole

C11H18O4 — CID 138977914

IUPAC(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-6-prop-2-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
SMILESC=CC[C@H]1O[C@@H](OC)[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C11H18O4/c1-5-6-7-8-9(10(12-4)13-7)15-11(2,3)14-8/h5,7-10H,1,6H2,2-4H3/t7-,8-,9-,10-/m1/s1
InChIKeyQIKMMEMVWDHSLC-ZYUZMQFOSA-N
MW214.26 g/mol
LogP1.45
Rot. Bonds3

About (3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-6-prop-2-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole

(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-6-prop-2-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole (PubChem CID 138977914) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is (3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-6-prop-2-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole.

Molecular Properties

Compound Name(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-6-prop-2-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
PubChem CID138977914
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-6-prop-2-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
SMILESC=CC[C@H]1O[C@@H](OC)[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C11H18O4/c1-5-6-7-8-9(10(12-4)13-7)15-11(2,3)14-8/h5,7-10H,1,6H2,2-4H3/t7-,8-,9-,10-/m1/s1
InChIKeyQIKMMEMVWDHSLC-ZYUZMQFOSA-N
XLogP1.45
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-6-prop-2-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-6-prop-2-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
The IUPAC name of (3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-6-prop-2-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole (CID 138977914) is (3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-6-prop-2-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole.
What is the SMILES notation for (3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-6-prop-2-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
The canonical SMILES for (3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-6-prop-2-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole is C=CC[C@H]1O[C@@H](OC)[C@@H]2OC(C)(C)O[C@@H]21.
What is the InChIKey of (3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-6-prop-2-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
The InChIKey is QIKMMEMVWDHSLC-ZYUZMQFOSA-N. The full InChI is InChI=1S/C11H18O4/c1-5-6-7-8-9(10(12-4)13-7)15-11(2,3)14-8/h5,7-10H,1,6H2,2-4H3/t7-,8-,9-,10-/m1/s1.
What are the key properties of (3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-6-prop-2-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-6-prop-2-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole has a molecular weight of 214.26 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-6-prop-2-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole is sourced from PubChem (CID 138977914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).