ethyl (Z)-3-methyl-5-phenyldec-2-enoate

C19H28O2 — CID 101265966

IUPACethyl (Z)-3-methyl-5-phenyldec-2-enoate
SMILESCCCCCC(C/C(C)=C\C(=O)OCC)c1ccccc1
InChIInChI=1S/C19H28O2/c1-4-6-8-13-18(17-11-9-7-10-12-17)14-16(3)15-19(20)21-5-2/h7,9-12,15,18H,4-6,8,13-14H2,1-3H3/b16-15-
InChIKeyBLULSGBGTXNIGG-NXVVXOECSA-N
MW288.43 g/mol
LogP5.25
Rot. Bonds9

About ethyl (Z)-3-methyl-5-phenyldec-2-enoate

ethyl (Z)-3-methyl-5-phenyldec-2-enoate (PubChem CID 101265966) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is ethyl (Z)-3-methyl-5-phenyldec-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-methyl-5-phenyldec-2-enoate
PubChem CID101265966
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Nameethyl (Z)-3-methyl-5-phenyldec-2-enoate
SMILESCCCCCC(C/C(C)=C\C(=O)OCC)c1ccccc1
InChIInChI=1S/C19H28O2/c1-4-6-8-13-18(17-11-9-7-10-12-17)14-16(3)15-19(20)21-5-2/h7,9-12,15,18H,4-6,8,13-14H2,1-3H3/b16-15-
InChIKeyBLULSGBGTXNIGG-NXVVXOECSA-N
XLogP5.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1-diamino-4-phenylhexadecan-2-one
CID 70443579
methyl 3-phenylundecanoate
CID 608715
2-phenylheptyl hydrogen carbonate
CID 67179630
3-phenylheptanamide
CID 91447364
ethyl (3S)-6-amino-3-phenylhexanoate
CID 70000941
ethyl (Z)-3,5-dimethyl-6-phenylhex-2-enoate
CID 142907956
ethyl 6-amino-3-phenylhexanoate;hydrochloride
CID 18322859
bis(3-phenyldecyl) carbonate
CID 67180027
ethyl (Z)-3-ethoxy-5-hydroxy-5-phenylpent-2-enoate
CID 11572497
7-phenyldodecyl hydrogen carbonate
CID 67181032
4-phenylnonane-2-thione
CID 23365648
ethyl (Z)-3-methyl-4-phenylbut-2-enoate
CID 14661101

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-methyl-5-phenyldec-2-enoate?
The IUPAC name of ethyl (Z)-3-methyl-5-phenyldec-2-enoate (CID 101265966) is ethyl (Z)-3-methyl-5-phenyldec-2-enoate.
What is the SMILES notation for ethyl (Z)-3-methyl-5-phenyldec-2-enoate?
The canonical SMILES for ethyl (Z)-3-methyl-5-phenyldec-2-enoate is CCCCCC(C/C(C)=C\C(=O)OCC)c1ccccc1.
What is the InChIKey of ethyl (Z)-3-methyl-5-phenyldec-2-enoate?
The InChIKey is BLULSGBGTXNIGG-NXVVXOECSA-N. The full InChI is InChI=1S/C19H28O2/c1-4-6-8-13-18(17-11-9-7-10-12-17)14-16(3)15-19(20)21-5-2/h7,9-12,15,18H,4-6,8,13-14H2,1-3H3/b16-15-.
What are the key properties of ethyl (Z)-3-methyl-5-phenyldec-2-enoate?
ethyl (Z)-3-methyl-5-phenyldec-2-enoate has a molecular weight of 288.43 g/mol, XLogP of 5.25, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-methyl-5-phenyldec-2-enoate is sourced from PubChem (CID 101265966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).