ethyl (Z)-3,5-dimethyl-6-phenylhex-2-enoate

C16H22O2 — CID 142907956

IUPACethyl (Z)-3,5-dimethyl-6-phenylhex-2-enoate
SMILESCCOC(=O)/C=C(/C)CC(C)Cc1ccccc1
InChIInChI=1S/C16H22O2/c1-4-18-16(17)12-14(3)10-13(2)11-15-8-6-5-7-9-15/h5-9,12-13H,4,10-11H2,1-3H3/b14-12-
InChIKeyGDRLKPKTZILULS-OWBHPGMISA-N
MW246.35 g/mol
LogP3.76
Rot. Bonds6

About ethyl (Z)-3,5-dimethyl-6-phenylhex-2-enoate

ethyl (Z)-3,5-dimethyl-6-phenylhex-2-enoate (PubChem CID 142907956) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is ethyl (Z)-3,5-dimethyl-6-phenylhex-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3,5-dimethyl-6-phenylhex-2-enoate
PubChem CID142907956
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Nameethyl (Z)-3,5-dimethyl-6-phenylhex-2-enoate
SMILESCCOC(=O)/C=C(/C)CC(C)Cc1ccccc1
InChIInChI=1S/C16H22O2/c1-4-18-16(17)12-14(3)10-13(2)11-15-8-6-5-7-9-15/h5-9,12-13H,4,10-11H2,1-3H3/b14-12-
InChIKeyGDRLKPKTZILULS-OWBHPGMISA-N
XLogP3.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (Z)-3-methyl-4-phenylbut-2-enoate
CID 14661101
ethyl 3-benzyl-4-phenylbut-2-enoate
CID 10850364
ethyl (Z)-3-methyl-5-phenyldec-2-enoate
CID 101265966
CID 70551914
CID 70551914
diethyl 2-(2-methyl-3-phenylpropyl)propanedioate
CID 174407288
benzyl (Z)-3-methylhex-2-enoate
CID 70913507
2-ethoxycarbonyl-4-methyl-5-phenylpentanoic acid
CID 174946151
benzyl 3-methylpent-2-enoate
CID 123956810
(3R)-3-benzyl-4-ethoxy-4-oxobutanoic acid
CID 15021598
ethyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 141026874
methyl (3R)-3-methyl-4-phenylbutanoate
CID 641406
1-phenylpropan-2-yl 3-aminobut-2-enoate
CID 70398022

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3,5-dimethyl-6-phenylhex-2-enoate?
The IUPAC name of ethyl (Z)-3,5-dimethyl-6-phenylhex-2-enoate (CID 142907956) is ethyl (Z)-3,5-dimethyl-6-phenylhex-2-enoate.
What is the SMILES notation for ethyl (Z)-3,5-dimethyl-6-phenylhex-2-enoate?
The canonical SMILES for ethyl (Z)-3,5-dimethyl-6-phenylhex-2-enoate is CCOC(=O)/C=C(/C)CC(C)Cc1ccccc1.
What is the InChIKey of ethyl (Z)-3,5-dimethyl-6-phenylhex-2-enoate?
The InChIKey is GDRLKPKTZILULS-OWBHPGMISA-N. The full InChI is InChI=1S/C16H22O2/c1-4-18-16(17)12-14(3)10-13(2)11-15-8-6-5-7-9-15/h5-9,12-13H,4,10-11H2,1-3H3/b14-12-.
What are the key properties of ethyl (Z)-3,5-dimethyl-6-phenylhex-2-enoate?
ethyl (Z)-3,5-dimethyl-6-phenylhex-2-enoate has a molecular weight of 246.35 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3,5-dimethyl-6-phenylhex-2-enoate is sourced from PubChem (CID 142907956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).