methyl (Z)-3,3-diphenylhex-4-enoate

C19H20O2 — CID 14338218

IUPACmethyl (Z)-3,3-diphenylhex-4-enoate
SMILESC/C=C\C(CC(=O)OC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20O2/c1-3-14-19(15-18(20)21-2,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h3-14H,15H2,1-2H3/b14-3-
InChIKeyKKCXSJANCOOITF-BNNQUZSASA-N
MW280.37 g/mol
LogP4.11
Rot. Bonds5

About methyl (Z)-3,3-diphenylhex-4-enoate

methyl (Z)-3,3-diphenylhex-4-enoate (PubChem CID 14338218) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is methyl (Z)-3,3-diphenylhex-4-enoate.

Molecular Properties

Compound Namemethyl (Z)-3,3-diphenylhex-4-enoate
PubChem CID14338218
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Namemethyl (Z)-3,3-diphenylhex-4-enoate
SMILESC/C=C\C(CC(=O)OC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20O2/c1-3-14-19(15-18(20)21-2,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h3-14H,15H2,1-2H3/b14-3-
InChIKeyKKCXSJANCOOITF-BNNQUZSASA-N
XLogP4.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3,3-diphenylhex-4-enoate?
The IUPAC name of methyl (Z)-3,3-diphenylhex-4-enoate (CID 14338218) is methyl (Z)-3,3-diphenylhex-4-enoate.
What is the SMILES notation for methyl (Z)-3,3-diphenylhex-4-enoate?
The canonical SMILES for methyl (Z)-3,3-diphenylhex-4-enoate is C/C=C\C(CC(=O)OC)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl (Z)-3,3-diphenylhex-4-enoate?
The InChIKey is KKCXSJANCOOITF-BNNQUZSASA-N. The full InChI is InChI=1S/C19H20O2/c1-3-14-19(15-18(20)21-2,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h3-14H,15H2,1-2H3/b14-3-.
What are the key properties of methyl (Z)-3,3-diphenylhex-4-enoate?
methyl (Z)-3,3-diphenylhex-4-enoate has a molecular weight of 280.37 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3,3-diphenylhex-4-enoate is sourced from PubChem (CID 14338218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).