(3aR,6aR)-2,2-dimethyl-5-[(E)-prop-1-enyl]-3a,6a-dihydrofuro[2,3-d][1,3]dioxole

C10H14O3 — CID 15315365

IUPAC(3aR,6aR)-2,2-dimethyl-5-[(E)-prop-1-enyl]-3a,6a-dihydrofuro[2,3-d][1,3]dioxole
SMILESC/C=C/C1=C[C@H]2OC(C)(C)O[C@H]2O1
InChIInChI=1S/C10H14O3/c1-4-5-7-6-8-9(11-7)13-10(2,3)12-8/h4-6,8-9H,1-3H3/b5-4+/t8-,9-/m1/s1
InChIKeySJLINDGGBYZGFW-HOMPQPGZSA-N
MW182.22 g/mol
LogP1.95
Rot. Bonds1

About (3aR,6aR)-2,2-dimethyl-5-[(E)-prop-1-enyl]-3a,6a-dihydrofuro[2,3-d][1,3]dioxole

(3aR,6aR)-2,2-dimethyl-5-[(E)-prop-1-enyl]-3a,6a-dihydrofuro[2,3-d][1,3]dioxole (PubChem CID 15315365) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (3aR,6aR)-2,2-dimethyl-5-[(E)-prop-1-enyl]-3a,6a-dihydrofuro[2,3-d][1,3]dioxole.

Molecular Properties

Compound Name(3aR,6aR)-2,2-dimethyl-5-[(E)-prop-1-enyl]-3a,6a-dihydrofuro[2,3-d][1,3]dioxole
PubChem CID15315365
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(3aR,6aR)-2,2-dimethyl-5-[(E)-prop-1-enyl]-3a,6a-dihydrofuro[2,3-d][1,3]dioxole
SMILESC/C=C/C1=C[C@H]2OC(C)(C)O[C@H]2O1
InChIInChI=1S/C10H14O3/c1-4-5-7-6-8-9(11-7)13-10(2,3)12-8/h4-6,8-9H,1-3H3/b5-4+/t8-,9-/m1/s1
InChIKeySJLINDGGBYZGFW-HOMPQPGZSA-N
XLogP1.95
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-2,2-dimethyl-5-[(E)-prop-1-enyl]-3a,6a-dihydrofuro[2,3-d][1,3]dioxole?
The IUPAC name of (3aR,6aR)-2,2-dimethyl-5-[(E)-prop-1-enyl]-3a,6a-dihydrofuro[2,3-d][1,3]dioxole (CID 15315365) is (3aR,6aR)-2,2-dimethyl-5-[(E)-prop-1-enyl]-3a,6a-dihydrofuro[2,3-d][1,3]dioxole.
What is the SMILES notation for (3aR,6aR)-2,2-dimethyl-5-[(E)-prop-1-enyl]-3a,6a-dihydrofuro[2,3-d][1,3]dioxole?
The canonical SMILES for (3aR,6aR)-2,2-dimethyl-5-[(E)-prop-1-enyl]-3a,6a-dihydrofuro[2,3-d][1,3]dioxole is C/C=C/C1=C[C@H]2OC(C)(C)O[C@H]2O1.
What is the InChIKey of (3aR,6aR)-2,2-dimethyl-5-[(E)-prop-1-enyl]-3a,6a-dihydrofuro[2,3-d][1,3]dioxole?
The InChIKey is SJLINDGGBYZGFW-HOMPQPGZSA-N. The full InChI is InChI=1S/C10H14O3/c1-4-5-7-6-8-9(11-7)13-10(2,3)12-8/h4-6,8-9H,1-3H3/b5-4+/t8-,9-/m1/s1.
What are the key properties of (3aR,6aR)-2,2-dimethyl-5-[(E)-prop-1-enyl]-3a,6a-dihydrofuro[2,3-d][1,3]dioxole?
(3aR,6aR)-2,2-dimethyl-5-[(E)-prop-1-enyl]-3a,6a-dihydrofuro[2,3-d][1,3]dioxole has a molecular weight of 182.22 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 (3aR,6aR)-2,2-dimethyl-5-[(E)-prop-1-enyl]-3a,6a-dihydrofuro[2,3-d][1,3]dioxole is sourced from PubChem (CID 15315365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).