(2-ethenyloxolan-2-yl)methanol;propane-2,2-diol

C10H20O4 — CID 143521419

IUPAC(2-ethenyloxolan-2-yl)methanol;propane-2,2-diol
SMILESC=CC1(CO)CCCO1.CC(C)(O)O
InChIInChI=1S/C7H12O2.C3H8O2/c1-2-7(6-8)4-3-5-9-7;1-3(2,4)5/h2,8H,1,3-6H2;4-5H,1-2H3
InChIKeyNDZVBXMOJURPTJ-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.42
Rot. Bonds2

About (2-ethenyloxolan-2-yl)methanol;propane-2,2-diol

(2-ethenyloxolan-2-yl)methanol;propane-2,2-diol (PubChem CID 143521419) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2-ethenyloxolan-2-yl)methanol;propane-2,2-diol.

Molecular Properties

Compound Name(2-ethenyloxolan-2-yl)methanol;propane-2,2-diol
PubChem CID143521419
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name(2-ethenyloxolan-2-yl)methanol;propane-2,2-diol
SMILESC=CC1(CO)CCCO1.CC(C)(O)O
InChIInChI=1S/C7H12O2.C3H8O2/c1-2-7(6-8)4-3-5-9-7;1-3(2,4)5/h2,8H,1,3-6H2;4-5H,1-2H3
InChIKeyNDZVBXMOJURPTJ-UHFFFAOYSA-N
XLogP0.42
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-ethenyloxolan-2-yl)methanol;propane-2,2-diol?
The IUPAC name of (2-ethenyloxolan-2-yl)methanol;propane-2,2-diol (CID 143521419) is (2-ethenyloxolan-2-yl)methanol;propane-2,2-diol.
What is the SMILES notation for (2-ethenyloxolan-2-yl)methanol;propane-2,2-diol?
The canonical SMILES for (2-ethenyloxolan-2-yl)methanol;propane-2,2-diol is C=CC1(CO)CCCO1.CC(C)(O)O.
What is the InChIKey of (2-ethenyloxolan-2-yl)methanol;propane-2,2-diol?
The InChIKey is NDZVBXMOJURPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.C3H8O2/c1-2-7(6-8)4-3-5-9-7;1-3(2,4)5/h2,8H,1,3-6H2;4-5H,1-2H3.
What are the key properties of (2-ethenyloxolan-2-yl)methanol;propane-2,2-diol?
(2-ethenyloxolan-2-yl)methanol;propane-2,2-diol has a molecular weight of 204.27 g/mol, XLogP of 0.42, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethenyloxolan-2-yl)methanol;propane-2,2-diol is sourced from PubChem (CID 143521419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).