7-ethenoxy-4-methyloctane-2,5-diol

C11H22O3 — CID 141244384

IUPAC7-ethenoxy-4-methyloctane-2,5-diol
SMILESC=COC(C)CC(O)C(C)CC(C)O
InChIInChI=1S/C11H22O3/c1-5-14-10(4)7-11(13)8(2)6-9(3)12/h5,8-13H,1,6-7H2,2-4H3
InChIKeyRXPMHXUQVQAAHX-UHFFFAOYSA-N
MW202.29 g/mol
LogP1.69
Rot. Bonds7

About 7-ethenoxy-4-methyloctane-2,5-diol

7-ethenoxy-4-methyloctane-2,5-diol (PubChem CID 141244384) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 7-ethenoxy-4-methyloctane-2,5-diol.

Molecular Properties

Compound Name7-ethenoxy-4-methyloctane-2,5-diol
PubChem CID141244384
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name7-ethenoxy-4-methyloctane-2,5-diol
SMILESC=COC(C)CC(O)C(C)CC(C)O
InChIInChI=1S/C11H22O3/c1-5-14-10(4)7-11(13)8(2)6-9(3)12/h5,8-13H,1,6-7H2,2-4H3
InChIKeyRXPMHXUQVQAAHX-UHFFFAOYSA-N
XLogP1.69
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-ethenoxy-4-methyloctane-2,5-diol?
The IUPAC name of 7-ethenoxy-4-methyloctane-2,5-diol (CID 141244384) is 7-ethenoxy-4-methyloctane-2,5-diol.
What is the SMILES notation for 7-ethenoxy-4-methyloctane-2,5-diol?
The canonical SMILES for 7-ethenoxy-4-methyloctane-2,5-diol is C=COC(C)CC(O)C(C)CC(C)O.
What is the InChIKey of 7-ethenoxy-4-methyloctane-2,5-diol?
The InChIKey is RXPMHXUQVQAAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-5-14-10(4)7-11(13)8(2)6-9(3)12/h5,8-13H,1,6-7H2,2-4H3.
What are the key properties of 7-ethenoxy-4-methyloctane-2,5-diol?
7-ethenoxy-4-methyloctane-2,5-diol has a molecular weight of 202.29 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenoxy-4-methyloctane-2,5-diol is sourced from PubChem (CID 141244384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).