8-methylnona-1,6-dien-3-yl (E)-3-phenylprop-2-enoate

C19H24O2 — CID 155728981

IUPAC8-methylnona-1,6-dien-3-yl (E)-3-phenylprop-2-enoate
SMILESC=CC(CCC=CC(C)C)OC(=O)/C=C/c1ccccc1
InChIInChI=1S/C19H24O2/c1-4-18(13-9-8-10-16(2)3)21-19(20)15-14-17-11-6-5-7-12-17/h4-8,10-12,14-16,18H,1,9,13H2,2-3H3/b10-8?,15-14+
InChIKeyVWVFEGFMEZDHMQ-KJPSGJCNSA-N
MW284.40 g/mol
LogP4.79
Rot. Bonds8

About 8-methylnona-1,6-dien-3-yl (E)-3-phenylprop-2-enoate

8-methylnona-1,6-dien-3-yl (E)-3-phenylprop-2-enoate (PubChem CID 155728981) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 8-methylnona-1,6-dien-3-yl (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name8-methylnona-1,6-dien-3-yl (E)-3-phenylprop-2-enoate
PubChem CID155728981
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name8-methylnona-1,6-dien-3-yl (E)-3-phenylprop-2-enoate
SMILESC=CC(CCC=CC(C)C)OC(=O)/C=C/c1ccccc1
InChIInChI=1S/C19H24O2/c1-4-18(13-9-8-10-16(2)3)21-19(20)15-14-17-11-6-5-7-12-17/h4-8,10-12,14-16,18H,1,9,13H2,2-3H3/b10-8?,15-14+
InChIKeyVWVFEGFMEZDHMQ-KJPSGJCNSA-N
XLogP4.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methylbutan-2-yl (E)-3-phenylprop-2-enoate
CID 166681148
1-methoxypropan-2-yl (E)-3-phenylprop-2-enoate
CID 175028652
1-chloropropyl (E)-3-phenylprop-2-enoate
CID 19931493
diaminomethyl 3-phenylprop-2-enoate
CID 59346009
difluoromethyl 3-phenylprop-2-enoate
CID 175215356
propan-2-yl 3-[(E)-3-phenylprop-2-enoyl]oxybutanoate
CID 69304804
methyl 2-[1-[(E)-3-phenylprop-2-enoyl]oxyethyl]pent-4-enoate
CID 69305030
1-phenylethyl 3-phenylprop-2-enoate;bis(3-phenylprop-2-enoic acid)
CID 174981518
14-methylpentadecyl 3-phenylprop-2-enoate
CID 141090504
1,2-diaminoethyl 3-phenylprop-2-enoate
CID 151604287
dimethyl (2R,3R)-2,3-bis[[(E)-3-phenylprop-2-enoyl]oxy]butanedioate
CID 10343064
[1-oxo-1-(1-phenylbutylamino)propan-2-yl] (E)-3-phenylprop-2-enoate
CID 46810097

Frequently Asked Questions

What is the IUPAC name of 8-methylnona-1,6-dien-3-yl (E)-3-phenylprop-2-enoate?
The IUPAC name of 8-methylnona-1,6-dien-3-yl (E)-3-phenylprop-2-enoate (CID 155728981) is 8-methylnona-1,6-dien-3-yl (E)-3-phenylprop-2-enoate.
What is the SMILES notation for 8-methylnona-1,6-dien-3-yl (E)-3-phenylprop-2-enoate?
The canonical SMILES for 8-methylnona-1,6-dien-3-yl (E)-3-phenylprop-2-enoate is C=CC(CCC=CC(C)C)OC(=O)/C=C/c1ccccc1.
What is the InChIKey of 8-methylnona-1,6-dien-3-yl (E)-3-phenylprop-2-enoate?
The InChIKey is VWVFEGFMEZDHMQ-KJPSGJCNSA-N. The full InChI is InChI=1S/C19H24O2/c1-4-18(13-9-8-10-16(2)3)21-19(20)15-14-17-11-6-5-7-12-17/h4-8,10-12,14-16,18H,1,9,13H2,2-3H3/b10-8?,15-14+.
What are the key properties of 8-methylnona-1,6-dien-3-yl (E)-3-phenylprop-2-enoate?
8-methylnona-1,6-dien-3-yl (E)-3-phenylprop-2-enoate has a molecular weight of 284.40 g/mol, XLogP of 4.79, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylnona-1,6-dien-3-yl (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 155728981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).