(E)-2-methyl-1-(2-methyloxiran-2-yl)non-3-en-1-ol

C13H24O2 — CID 23111541

IUPAC(E)-2-methyl-1-(2-methyloxiran-2-yl)non-3-en-1-ol
SMILESCCCCC/C=C/C(C)C(O)C1(C)CO1
InChIInChI=1S/C13H24O2/c1-4-5-6-7-8-9-11(2)12(14)13(3)10-15-13/h8-9,11-12,14H,4-7,10H2,1-3H3/b9-8+
InChIKeyMTPFXEAHTAJWIG-CMDGGOBGSA-N
MW212.33 g/mol
LogP2.91
Rot. Bonds7

About (E)-2-methyl-1-(2-methyloxiran-2-yl)non-3-en-1-ol

(E)-2-methyl-1-(2-methyloxiran-2-yl)non-3-en-1-ol (PubChem CID 23111541) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (E)-2-methyl-1-(2-methyloxiran-2-yl)non-3-en-1-ol.

Molecular Properties

Compound Name(E)-2-methyl-1-(2-methyloxiran-2-yl)non-3-en-1-ol
PubChem CID23111541
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(E)-2-methyl-1-(2-methyloxiran-2-yl)non-3-en-1-ol
SMILESCCCCC/C=C/C(C)C(O)C1(C)CO1
InChIInChI=1S/C13H24O2/c1-4-5-6-7-8-9-11(2)12(14)13(3)10-15-13/h8-9,11-12,14H,4-7,10H2,1-3H3/b9-8+
InChIKeyMTPFXEAHTAJWIG-CMDGGOBGSA-N
XLogP2.91
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (E)-2-methyl-1-(2-methyloxiran-2-yl)non-3-en-1-ol?
The IUPAC name of (E)-2-methyl-1-(2-methyloxiran-2-yl)non-3-en-1-ol (CID 23111541) is (E)-2-methyl-1-(2-methyloxiran-2-yl)non-3-en-1-ol.
What is the SMILES notation for (E)-2-methyl-1-(2-methyloxiran-2-yl)non-3-en-1-ol?
The canonical SMILES for (E)-2-methyl-1-(2-methyloxiran-2-yl)non-3-en-1-ol is CCCCC/C=C/C(C)C(O)C1(C)CO1.
What is the InChIKey of (E)-2-methyl-1-(2-methyloxiran-2-yl)non-3-en-1-ol?
The InChIKey is MTPFXEAHTAJWIG-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-5-6-7-8-9-11(2)12(14)13(3)10-15-13/h8-9,11-12,14H,4-7,10H2,1-3H3/b9-8+.
What are the key properties of (E)-2-methyl-1-(2-methyloxiran-2-yl)non-3-en-1-ol?
(E)-2-methyl-1-(2-methyloxiran-2-yl)non-3-en-1-ol has a molecular weight of 212.33 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-1-(2-methyloxiran-2-yl)non-3-en-1-ol is sourced from PubChem (CID 23111541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).