(2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methanol

C11H18O5 — CID 72998736

IUPAC(2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methanol
SMILESC=CCOC1C(CO)OC2OC(C)(C)OC21
InChIInChI=1S/C11H18O5/c1-4-5-13-8-7(6-12)14-10-9(8)15-11(2,3)16-10/h4,7-10,12H,1,5-6H2,2-3H3
InChIKeyVQOBCTNSVGSHHH-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.43
Rot. Bonds4

About (2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methanol

(2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methanol (PubChem CID 72998736) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methanol.

Molecular Properties

Compound Name(2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methanol
PubChem CID72998736
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name(2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methanol
SMILESC=CCOC1C(CO)OC2OC(C)(C)OC21
InChIInChI=1S/C11H18O5/c1-4-5-13-8-7(6-12)14-10-9(8)15-11(2,3)16-10/h4,7-10,12H,1,5-6H2,2-3H3
InChIKeyVQOBCTNSVGSHHH-UHFFFAOYSA-N
XLogP0.43
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methanol?
The IUPAC name of (2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methanol (CID 72998736) is (2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methanol.
What is the SMILES notation for (2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methanol?
The canonical SMILES for (2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methanol is C=CCOC1C(CO)OC2OC(C)(C)OC21.
What is the InChIKey of (2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methanol?
The InChIKey is VQOBCTNSVGSHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5/c1-4-5-13-8-7(6-12)14-10-9(8)15-11(2,3)16-10/h4,7-10,12H,1,5-6H2,2-3H3.
What are the key properties of (2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methanol?
(2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methanol has a molecular weight of 230.26 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methanol is sourced from PubChem (CID 72998736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).