(1R)-1-[(3aS,6R,6aS)-2,2-dimethyl-4-prop-2-enoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethane-1,2-diol

C12H20O6 — CID 11543465

IUPAC(1R)-1-[(3aS,6R,6aS)-2,2-dimethyl-4-prop-2-enoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethane-1,2-diol
SMILESC=CCOC1O[C@H]([C@H](O)CO)[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C12H20O6/c1-4-5-15-11-10-9(17-12(2,3)18-10)8(16-11)7(14)6-13/h4,7-11,13-14H,1,5-6H2,2-3H3/t7-,8-,9+,10+,11?/m1/s1
InChIKeyZCYRVPBWEILCIK-XSIKWTSOSA-N
MW260.29 g/mol
LogP-0.21
Rot. Bonds5

About (1R)-1-[(3aS,6R,6aS)-2,2-dimethyl-4-prop-2-enoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethane-1,2-diol

(1R)-1-[(3aS,6R,6aS)-2,2-dimethyl-4-prop-2-enoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethane-1,2-diol (PubChem CID 11543465) has the molecular formula C12H20O6 and a molecular weight of 260.29 g/mol. Its IUPAC name is (1R)-1-[(3aS,6R,6aS)-2,2-dimethyl-4-prop-2-enoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-[(3aS,6R,6aS)-2,2-dimethyl-4-prop-2-enoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethane-1,2-diol
PubChem CID11543465
Molecular FormulaC12H20O6
Molecular Weight260.29 g/mol
Exact Mass260.13
IUPAC Name(1R)-1-[(3aS,6R,6aS)-2,2-dimethyl-4-prop-2-enoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethane-1,2-diol
SMILESC=CCOC1O[C@H]([C@H](O)CO)[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C12H20O6/c1-4-5-15-11-10-9(17-12(2,3)18-10)8(16-11)7(14)6-13/h4,7-11,13-14H,1,5-6H2,2-3H3/t7-,8-,9+,10+,11?/m1/s1
InChIKeyZCYRVPBWEILCIK-XSIKWTSOSA-N
XLogP-0.21
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3aS,6R,6aS)-2,2-dimethyl-4-prop-2-enoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethane-1,2-diol?
The IUPAC name of (1R)-1-[(3aS,6R,6aS)-2,2-dimethyl-4-prop-2-enoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethane-1,2-diol (CID 11543465) is (1R)-1-[(3aS,6R,6aS)-2,2-dimethyl-4-prop-2-enoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethane-1,2-diol.
What is the SMILES notation for (1R)-1-[(3aS,6R,6aS)-2,2-dimethyl-4-prop-2-enoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethane-1,2-diol?
The canonical SMILES for (1R)-1-[(3aS,6R,6aS)-2,2-dimethyl-4-prop-2-enoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethane-1,2-diol is C=CCOC1O[C@H]([C@H](O)CO)[C@@H]2OC(C)(C)O[C@H]12.
What is the InChIKey of (1R)-1-[(3aS,6R,6aS)-2,2-dimethyl-4-prop-2-enoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethane-1,2-diol?
The InChIKey is ZCYRVPBWEILCIK-XSIKWTSOSA-N. The full InChI is InChI=1S/C12H20O6/c1-4-5-15-11-10-9(17-12(2,3)18-10)8(16-11)7(14)6-13/h4,7-11,13-14H,1,5-6H2,2-3H3/t7-,8-,9+,10+,11?/m1/s1.
What are the key properties of (1R)-1-[(3aS,6R,6aS)-2,2-dimethyl-4-prop-2-enoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethane-1,2-diol?
(1R)-1-[(3aS,6R,6aS)-2,2-dimethyl-4-prop-2-enoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethane-1,2-diol has a molecular weight of 260.29 g/mol, XLogP of -0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3aS,6R,6aS)-2,2-dimethyl-4-prop-2-enoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethane-1,2-diol is sourced from PubChem (CID 11543465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).