[(E)-2-methylundec-1-enyl] 2-phenylacetate

C20H30O2 — CID 70223383

IUPAC[(E)-2-methylundec-1-enyl] 2-phenylacetate
SMILESCCCCCCCCC/C(C)=C/OC(=O)Cc1ccccc1
InChIInChI=1S/C20H30O2/c1-3-4-5-6-7-8-10-13-18(2)17-22-20(21)16-19-14-11-9-12-15-19/h9,11-12,14-15,17H,3-8,10,13,16H2,1-2H3/b18-17+
InChIKeyJXCPPNFLRUSUOJ-ISLYRVAYSA-N
MW302.46 g/mol
LogP5.82
Rot. Bonds11

About [(E)-2-methylundec-1-enyl] 2-phenylacetate

[(E)-2-methylundec-1-enyl] 2-phenylacetate (PubChem CID 70223383) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is [(E)-2-methylundec-1-enyl] 2-phenylacetate.

Molecular Properties

Compound Name[(E)-2-methylundec-1-enyl] 2-phenylacetate
PubChem CID70223383
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name[(E)-2-methylundec-1-enyl] 2-phenylacetate
SMILESCCCCCCCCC/C(C)=C/OC(=O)Cc1ccccc1
InChIInChI=1S/C20H30O2/c1-3-4-5-6-7-8-10-13-18(2)17-22-20(21)16-19-14-11-9-12-15-19/h9,11-12,14-15,17H,3-8,10,13,16H2,1-2H3/b18-17+
InChIKeyJXCPPNFLRUSUOJ-ISLYRVAYSA-N
XLogP5.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 91256023
2-decyldodecyl 2-phenylacetate
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Frequently Asked Questions

What is the IUPAC name of [(E)-2-methylundec-1-enyl] 2-phenylacetate?
The IUPAC name of [(E)-2-methylundec-1-enyl] 2-phenylacetate (CID 70223383) is [(E)-2-methylundec-1-enyl] 2-phenylacetate.
What is the SMILES notation for [(E)-2-methylundec-1-enyl] 2-phenylacetate?
The canonical SMILES for [(E)-2-methylundec-1-enyl] 2-phenylacetate is CCCCCCCCC/C(C)=C/OC(=O)Cc1ccccc1.
What is the InChIKey of [(E)-2-methylundec-1-enyl] 2-phenylacetate?
The InChIKey is JXCPPNFLRUSUOJ-ISLYRVAYSA-N. The full InChI is InChI=1S/C20H30O2/c1-3-4-5-6-7-8-10-13-18(2)17-22-20(21)16-19-14-11-9-12-15-19/h9,11-12,14-15,17H,3-8,10,13,16H2,1-2H3/b18-17+.
What are the key properties of [(E)-2-methylundec-1-enyl] 2-phenylacetate?
[(E)-2-methylundec-1-enyl] 2-phenylacetate has a molecular weight of 302.46 g/mol, XLogP of 5.82, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-methylundec-1-enyl] 2-phenylacetate is sourced from PubChem (CID 70223383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).