1-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)ethane-1,2-diol

C10H18O3 — CID 72814775

IUPAC1-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)ethane-1,2-diol
SMILESC=C(C)C1CCC(C)(C(O)CO)O1
InChIInChI=1S/C10H18O3/c1-7(2)8-4-5-10(3,13-8)9(12)6-11/h8-9,11-12H,1,4-6H2,2-3H3
InChIKeyUACOJPJGRUTLJR-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.85
Rot. Bonds3

About 1-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)ethane-1,2-diol

1-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)ethane-1,2-diol (PubChem CID 72814775) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)ethane-1,2-diol
PubChem CID72814775
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name1-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)ethane-1,2-diol
SMILESC=C(C)C1CCC(C)(C(O)CO)O1
InChIInChI=1S/C10H18O3/c1-7(2)8-4-5-10(3,13-8)9(12)6-11/h8-9,11-12H,1,4-6H2,2-3H3
InChIKeyUACOJPJGRUTLJR-UHFFFAOYSA-N
XLogP0.85
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)ethane-1,2-diol?
The IUPAC name of 1-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)ethane-1,2-diol (CID 72814775) is 1-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)ethane-1,2-diol.
What is the SMILES notation for 1-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)ethane-1,2-diol?
The canonical SMILES for 1-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)ethane-1,2-diol is C=C(C)C1CCC(C)(C(O)CO)O1.
What is the InChIKey of 1-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)ethane-1,2-diol?
The InChIKey is UACOJPJGRUTLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-7(2)8-4-5-10(3,13-8)9(12)6-11/h8-9,11-12H,1,4-6H2,2-3H3.
What are the key properties of 1-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)ethane-1,2-diol?
1-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)ethane-1,2-diol has a molecular weight of 186.25 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)ethane-1,2-diol is sourced from PubChem (CID 72814775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).