1-(3-methylbut-2-enoxy)-5-prop-2-enoxypentane

C13H24O2 — CID 11218120

IUPAC1-(3-methylbut-2-enoxy)-5-prop-2-enoxypentane
SMILESC=CCOCCCCCOCC=C(C)C
InChIInChI=1S/C13H24O2/c1-4-9-14-10-6-5-7-11-15-12-8-13(2)3/h4,8H,1,5-7,9-12H2,2-3H3
InChIKeyGKIHPZUQZVMDBP-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.34
Rot. Bonds10

About 1-(3-methylbut-2-enoxy)-5-prop-2-enoxypentane

1-(3-methylbut-2-enoxy)-5-prop-2-enoxypentane (PubChem CID 11218120) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 1-(3-methylbut-2-enoxy)-5-prop-2-enoxypentane.

Molecular Properties

Compound Name1-(3-methylbut-2-enoxy)-5-prop-2-enoxypentane
PubChem CID11218120
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name1-(3-methylbut-2-enoxy)-5-prop-2-enoxypentane
SMILESC=CCOCCCCCOCC=C(C)C
InChIInChI=1S/C13H24O2/c1-4-9-14-10-6-5-7-11-15-12-8-13(2)3/h4,8H,1,5-7,9-12H2,2-3H3
InChIKeyGKIHPZUQZVMDBP-UHFFFAOYSA-N
XLogP3.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(3-methylbut-2-enoxy)-5-prop-2-enoxypentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-7-prop-2-enoxyhept-2-ene
CID 174363106
3-methyl-1-prop-2-enoxybut-2-ene
CID 11366991
1-hept-6-enoxy-3,7-dimethylocta-2,6-diene
CID 90808858
1-prop-2-enoxypentane;zirconium
CID 175164581
4-[4-[4-(4-prop-2-enoxybutoxy)butoxy]butoxy]butan-1-ol
CID 19068478
4-(4-prop-2-enoxybutoxy)butan-1-ol
CID 87308231
1-(3,7-dimethylocta-2,6-dienoxy)hexadecane
CID 72752481
ethene;1-prop-2-enoxypentane;hydrate
CID 174881313
formic acid;1-prop-2-enoxypentane
CID 174234349
azane;12-prop-2-enoxydodecan-3-ol
CID 175787809
N-methyl-4-prop-2-enoxybutan-1-amine
CID 62442443
11-(2-prop-2-enoxyethoxy)undecane-1-thiol
CID 59422673

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enoxy)-5-prop-2-enoxypentane?
The IUPAC name of 1-(3-methylbut-2-enoxy)-5-prop-2-enoxypentane (CID 11218120) is 1-(3-methylbut-2-enoxy)-5-prop-2-enoxypentane.
What is the SMILES notation for 1-(3-methylbut-2-enoxy)-5-prop-2-enoxypentane?
The canonical SMILES for 1-(3-methylbut-2-enoxy)-5-prop-2-enoxypentane is C=CCOCCCCCOCC=C(C)C.
What is the InChIKey of 1-(3-methylbut-2-enoxy)-5-prop-2-enoxypentane?
The InChIKey is GKIHPZUQZVMDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-9-14-10-6-5-7-11-15-12-8-13(2)3/h4,8H,1,5-7,9-12H2,2-3H3.
What are the key properties of 1-(3-methylbut-2-enoxy)-5-prop-2-enoxypentane?
1-(3-methylbut-2-enoxy)-5-prop-2-enoxypentane has a molecular weight of 212.33 g/mol, XLogP of 3.34, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enoxy)-5-prop-2-enoxypentane is sourced from PubChem (CID 11218120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).