5-but-3-en-2-yl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol

C11H18O4 — CID 123478056

IUPAC5-but-3-en-2-yl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
SMILESC=CC(C)C1OC2OC(C)(C)OC2C1O
InChIInChI=1S/C11H18O4/c1-5-6(2)8-7(12)9-10(13-8)15-11(3,4)14-9/h5-10,12H,1H2,2-4H3
InChIKeyQZPXQYAWOWAPMX-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.05
Rot. Bonds2

About 5-but-3-en-2-yl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol

5-but-3-en-2-yl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol (PubChem CID 123478056) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 5-but-3-en-2-yl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol.

Molecular Properties

Compound Name5-but-3-en-2-yl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
PubChem CID123478056
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name5-but-3-en-2-yl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
SMILESC=CC(C)C1OC2OC(C)(C)OC2C1O
InChIInChI=1S/C11H18O4/c1-5-6(2)8-7(12)9-10(13-8)15-11(3,4)14-9/h5-10,12H,1H2,2-4H3
InChIKeyQZPXQYAWOWAPMX-UHFFFAOYSA-N
XLogP1.05
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.05
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 5-but-3-en-2-yl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol?
The IUPAC name of 5-but-3-en-2-yl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol (CID 123478056) is 5-but-3-en-2-yl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol.
What is the SMILES notation for 5-but-3-en-2-yl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol?
The canonical SMILES for 5-but-3-en-2-yl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol is C=CC(C)C1OC2OC(C)(C)OC2C1O.
What is the InChIKey of 5-but-3-en-2-yl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol?
The InChIKey is QZPXQYAWOWAPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-5-6(2)8-7(12)9-10(13-8)15-11(3,4)14-9/h5-10,12H,1H2,2-4H3.
What are the key properties of 5-but-3-en-2-yl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol?
5-but-3-en-2-yl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol has a molecular weight of 214.26 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-en-2-yl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol is sourced from PubChem (CID 123478056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).