2-[(4-methyl-5-phenylpent-4-enoxy)methyl]oxirane

C15H20O2 — CID 174818397

IUPAC2-[(4-methyl-5-phenylpent-4-enoxy)methyl]oxirane
SMILESCC(=Cc1ccccc1)CCCOCC1CO1
InChIInChI=1S/C15H20O2/c1-13(10-14-7-3-2-4-8-14)6-5-9-16-11-15-12-17-15/h2-4,7-8,10,15H,5-6,9,11-12H2,1H3
InChIKeyCZTMISINJSHPFT-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.29
Rot. Bonds7

About 2-[(4-methyl-5-phenylpent-4-enoxy)methyl]oxirane

2-[(4-methyl-5-phenylpent-4-enoxy)methyl]oxirane (PubChem CID 174818397) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-[(4-methyl-5-phenylpent-4-enoxy)methyl]oxirane.

Molecular Properties

Compound Name2-[(4-methyl-5-phenylpent-4-enoxy)methyl]oxirane
PubChem CID174818397
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name2-[(4-methyl-5-phenylpent-4-enoxy)methyl]oxirane
SMILESCC(=Cc1ccccc1)CCCOCC1CO1
InChIInChI=1S/C15H20O2/c1-13(10-14-7-3-2-4-8-14)6-5-9-16-11-15-12-17-15/h2-4,7-8,10,15H,5-6,9,11-12H2,1H3
InChIKeyCZTMISINJSHPFT-UHFFFAOYSA-N
XLogP3.29
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(4-methyl-5-phenylpent-4-enoxy)methyl]oxirane 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

hydroxy-methyl-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane
CID 101402997
2-[6-(4-phenylphenoxy)hexoxymethyl]oxirane
CID 100977910
2-[2-(2-phenoxyethoxy)ethoxymethyl]oxirane
CID 59687579
2-(4-trityloxybutoxymethyl)oxirane
CID 19992449
2-[3-[4-[[4-[3-(oxiran-2-ylmethoxy)propoxy]phenyl]-diphenylmethyl]phenoxy]propoxymethyl]oxirane
CID 135321964
8-(oxiran-2-ylmethoxy)octane-2,5-dione
CID 19885320
2-(prop-2-enoxymethyl)oxirane;styrene
CID 21400005
trimethyl-[2-[3-(oxiran-2-ylmethoxy)propyl]phenyl]silane
CID 141423011
2-[[4-(2-methylbut-1-enyl)phenoxy]methyl]oxirane
CID 88883042
[2-[(E)-1-phenylhept-1-en-2-yl]-1,3-dioxolan-4-yl]methyl acetate
CID 6296253
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxymethyl]oxirane
CID 130476685
2-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxymethyl]oxirane
CID 130476668

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-5-phenylpent-4-enoxy)methyl]oxirane?
The IUPAC name of 2-[(4-methyl-5-phenylpent-4-enoxy)methyl]oxirane (CID 174818397) is 2-[(4-methyl-5-phenylpent-4-enoxy)methyl]oxirane.
What is the SMILES notation for 2-[(4-methyl-5-phenylpent-4-enoxy)methyl]oxirane?
The canonical SMILES for 2-[(4-methyl-5-phenylpent-4-enoxy)methyl]oxirane is CC(=Cc1ccccc1)CCCOCC1CO1.
What is the InChIKey of 2-[(4-methyl-5-phenylpent-4-enoxy)methyl]oxirane?
The InChIKey is CZTMISINJSHPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-13(10-14-7-3-2-4-8-14)6-5-9-16-11-15-12-17-15/h2-4,7-8,10,15H,5-6,9,11-12H2,1H3.
What are the key properties of 2-[(4-methyl-5-phenylpent-4-enoxy)methyl]oxirane?
2-[(4-methyl-5-phenylpent-4-enoxy)methyl]oxirane has a molecular weight of 232.32 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-5-phenylpent-4-enoxy)methyl]oxirane is sourced from PubChem (CID 174818397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).