methanol;2-(oxiran-2-ylmethoxymethyl)oxirane;tricyclo[5.2.1.02,6]deca-3,8-diene

C17H26O4 — CID 118535993

IUPACmethanol;2-(oxiran-2-ylmethoxymethyl)oxirane;tricyclo[5.2.1.02,6]deca-3,8-diene
SMILESC(OCC1CO1)C1CO1.C1=CC2C3C=CC(C3)C2C1.CO
InChIInChI=1S/C10H12.C6H10O3.CH4O/c1-2-9-7-4-5-8(6-7)10(9)3-1;1(5-3-8-5)7-2-6-4-9-6;1-2/h1-2,4-5,7-10H,3,6H2;5-6H,1-4H2;2H,1H3
InChIKeyVVZKAFJHAFGJQX-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.79
Rot. Bonds4

About methanol;2-(oxiran-2-ylmethoxymethyl)oxirane;tricyclo[5.2.1.02,6]deca-3,8-diene

methanol;2-(oxiran-2-ylmethoxymethyl)oxirane;tricyclo[5.2.1.02,6]deca-3,8-diene (PubChem CID 118535993) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is methanol;2-(oxiran-2-ylmethoxymethyl)oxirane;tricyclo[5.2.1.02,6]deca-3,8-diene.

Molecular Properties

Compound Namemethanol;2-(oxiran-2-ylmethoxymethyl)oxirane;tricyclo[5.2.1.02,6]deca-3,8-diene
PubChem CID118535993
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Namemethanol;2-(oxiran-2-ylmethoxymethyl)oxirane;tricyclo[5.2.1.02,6]deca-3,8-diene
SMILESC(OCC1CO1)C1CO1.C1=CC2C3C=CC(C3)C2C1.CO
InChIInChI=1S/C10H12.C6H10O3.CH4O/c1-2-9-7-4-5-8(6-7)10(9)3-1;1(5-3-8-5)7-2-6-4-9-6;1-2/h1-2,4-5,7-10H,3,6H2;5-6H,1-4H2;2H,1H3
InChIKeyVVZKAFJHAFGJQX-UHFFFAOYSA-N
XLogP1.79
TPSA54.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanol;2-(oxiran-2-ylmethoxymethyl)oxirane;tricyclo[5.2.1.02,6]deca-3,8-diene?
The IUPAC name of methanol;2-(oxiran-2-ylmethoxymethyl)oxirane;tricyclo[5.2.1.02,6]deca-3,8-diene (CID 118535993) is methanol;2-(oxiran-2-ylmethoxymethyl)oxirane;tricyclo[5.2.1.02,6]deca-3,8-diene.
What is the SMILES notation for methanol;2-(oxiran-2-ylmethoxymethyl)oxirane;tricyclo[5.2.1.02,6]deca-3,8-diene?
The canonical SMILES for methanol;2-(oxiran-2-ylmethoxymethyl)oxirane;tricyclo[5.2.1.02,6]deca-3,8-diene is C(OCC1CO1)C1CO1.C1=CC2C3C=CC(C3)C2C1.CO.
What is the InChIKey of methanol;2-(oxiran-2-ylmethoxymethyl)oxirane;tricyclo[5.2.1.02,6]deca-3,8-diene?
The InChIKey is VVZKAFJHAFGJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C6H10O3.CH4O/c1-2-9-7-4-5-8(6-7)10(9)3-1;1(5-3-8-5)7-2-6-4-9-6;1-2/h1-2,4-5,7-10H,3,6H2;5-6H,1-4H2;2H,1H3.
What are the key properties of methanol;2-(oxiran-2-ylmethoxymethyl)oxirane;tricyclo[5.2.1.02,6]deca-3,8-diene?
methanol;2-(oxiran-2-ylmethoxymethyl)oxirane;tricyclo[5.2.1.02,6]deca-3,8-diene has a molecular weight of 294.39 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;2-(oxiran-2-ylmethoxymethyl)oxirane;tricyclo[5.2.1.02,6]deca-3,8-diene is sourced from PubChem (CID 118535993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).