(1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]ethanol

C10H16O4 — CID 10867335

IUPAC(1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]ethanol
SMILESC=C1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@@H](C)O
InChIInChI=1S/C10H16O4/c1-5-7(6(2)11)12-9-8(5)13-10(3,4)14-9/h6-9,11H,1H2,2-4H3/t6-,7+,8-,9-/m1/s1
InChIKeyWIJGWZFUSZFOBS-BZNPZCIMSA-N
MW200.23 g/mol
LogP0.80
Rot. Bonds1

About (1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]ethanol

(1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]ethanol (PubChem CID 10867335) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]ethanol
PubChem CID10867335
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]ethanol
SMILESC=C1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@@H](C)O
InChIInChI=1S/C10H16O4/c1-5-7(6(2)11)12-9-8(5)13-10(3,4)14-9/h6-9,11H,1H2,2-4H3/t6-,7+,8-,9-/m1/s1
InChIKeyWIJGWZFUSZFOBS-BZNPZCIMSA-N
XLogP0.80
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]ethanol?
The IUPAC name of (1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]ethanol (CID 10867335) is (1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]ethanol.
What is the SMILES notation for (1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]ethanol?
The canonical SMILES for (1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]ethanol is C=C1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@@H](C)O.
What is the InChIKey of (1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]ethanol?
The InChIKey is WIJGWZFUSZFOBS-BZNPZCIMSA-N. The full InChI is InChI=1S/C10H16O4/c1-5-7(6(2)11)12-9-8(5)13-10(3,4)14-9/h6-9,11H,1H2,2-4H3/t6-,7+,8-,9-/m1/s1.
What are the key properties of (1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]ethanol?
(1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]ethanol has a molecular weight of 200.23 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]ethanol is sourced from PubChem (CID 10867335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).