methyl (E)-2-methylidene-6-phenylhex-5-enoate

C14H16O2 — CID 58412278

IUPACmethyl (E)-2-methylidene-6-phenylhex-5-enoate
SMILESC=C(CC/C=C/c1ccccc1)C(=O)OC
InChIInChI=1S/C14H16O2/c1-12(14(15)16-2)8-6-7-11-13-9-4-3-5-10-13/h3-5,7,9-11H,1,6,8H2,2H3/b11-7+
InChIKeyUIDUNELATFTIML-YRNVUSSQSA-N
MW216.28 g/mol
LogP3.21
Rot. Bonds5

About methyl (E)-2-methylidene-6-phenylhex-5-enoate

methyl (E)-2-methylidene-6-phenylhex-5-enoate (PubChem CID 58412278) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl (E)-2-methylidene-6-phenylhex-5-enoate.

Molecular Properties

Compound Namemethyl (E)-2-methylidene-6-phenylhex-5-enoate
PubChem CID58412278
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Namemethyl (E)-2-methylidene-6-phenylhex-5-enoate
SMILESC=C(CC/C=C/c1ccccc1)C(=O)OC
InChIInChI=1S/C14H16O2/c1-12(14(15)16-2)8-6-7-11-13-9-4-3-5-10-13/h3-5,7,9-11H,1,6,8H2,2H3/b11-7+
InChIKeyUIDUNELATFTIML-YRNVUSSQSA-N
XLogP3.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (E)-2-methylidene-6-phenylhex-5-enoate 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

methyl 2-methylidene-5-phenylpent-4-enoate;methyl 2-methylprop-2-enoate
CID 66766714
(E)-5-phenylpent-4-enoic acid
CID 5370650
dimethylamino (E)-5-phenylpent-4-enoate
CID 174423096
dimethyl 2-methylidenebutanedioate;styrene
CID 22357357
methyl 5-(4-hydroxyphenyl)-2-methylidenepent-4-enoate
CID 139700678
(E)-2-hydroxy-2-methyl-7-phenylhept-6-en-3-one
CID 89392767
methyl 2-methylidene-4-oxohex-5-enoate;styrene
CID 69428971
7-phenylhept-6-en-2-one
CID 582607
methyl 2-methylidenehex-5-enoate
CID 12706152
4-hydroxy-2-methylidenebutanamide;4-phenylbut-3-en-1-ol
CID 175582028
methyl 2-benzylprop-2-enoate
CID 575761
ethane;[(1E,5Z)-hepta-1,5-dienyl]benzene;methoxymethane
CID 143006426

Frequently Asked Questions

What is the IUPAC name of methyl (E)-2-methylidene-6-phenylhex-5-enoate?
The IUPAC name of methyl (E)-2-methylidene-6-phenylhex-5-enoate (CID 58412278) is methyl (E)-2-methylidene-6-phenylhex-5-enoate.
What is the SMILES notation for methyl (E)-2-methylidene-6-phenylhex-5-enoate?
The canonical SMILES for methyl (E)-2-methylidene-6-phenylhex-5-enoate is C=C(CC/C=C/c1ccccc1)C(=O)OC.
What is the InChIKey of methyl (E)-2-methylidene-6-phenylhex-5-enoate?
The InChIKey is UIDUNELATFTIML-YRNVUSSQSA-N. The full InChI is InChI=1S/C14H16O2/c1-12(14(15)16-2)8-6-7-11-13-9-4-3-5-10-13/h3-5,7,9-11H,1,6,8H2,2H3/b11-7+.
What are the key properties of methyl (E)-2-methylidene-6-phenylhex-5-enoate?
methyl (E)-2-methylidene-6-phenylhex-5-enoate has a molecular weight of 216.28 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2-methylidene-6-phenylhex-5-enoate is sourced from PubChem (CID 58412278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).