butyl prop-2-enoate;1,2-xylene

C15H22O2 — CID 70409011

IUPACbutyl prop-2-enoate;1,2-xylene
SMILESC=CC(=O)OCCCC.Cc1ccccc1C
InChIInChI=1S/C8H10.C7H12O2/c1-7-5-3-4-6-8(7)2;1-3-5-6-9-7(8)4-2/h3-6H,1-2H3;4H,2-3,5-6H2,1H3
InChIKeyUUOAZTSEDCWKEC-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.82
Rot. Bonds4

About butyl prop-2-enoate;1,2-xylene

butyl prop-2-enoate;1,2-xylene (PubChem CID 70409011) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is butyl prop-2-enoate;1,2-xylene.

Molecular Properties

Compound Namebutyl prop-2-enoate;1,2-xylene
PubChem CID70409011
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Namebutyl prop-2-enoate;1,2-xylene
SMILESC=CC(=O)OCCCC.Cc1ccccc1C
InChIInChI=1S/C8H10.C7H12O2/c1-7-5-3-4-6-8(7)2;1-3-5-6-9-7(8)4-2/h3-6H,1-2H3;4H,2-3,5-6H2,1H3
InChIKeyUUOAZTSEDCWKEC-UHFFFAOYSA-N
XLogP3.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.82
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

butyl prop-2-enoate;styrene
CID 68545727
bis(butyl prop-2-enoate);styrene
CID 175337841
butyl prop-2-enoate;bis(ethyl prop-2-enoate)
CID 174617066
butyl prop-2-enoate;2-hydroxy-1,2-diphenylethanone;methoxymethane
CID 174584403
1,2-bis(ethenyl)benzene;butyl prop-2-enoate;styrene
CID 6454035
2-(2-nonylphenyl)ethyl prop-2-enoate
CID 67822598
styrene;tridecyl prop-2-enoate
CID 70120047
butan-2-one;butyl prop-2-enoate
CID 88737685
acetic acid;butyl prop-2-enoate;prop-2-enoic acid
CID 159700661
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
pentatriacontyl prop-2-enoate
CID 141309454

Frequently Asked Questions

What is the IUPAC name of butyl prop-2-enoate;1,2-xylene?
The IUPAC name of butyl prop-2-enoate;1,2-xylene (CID 70409011) is butyl prop-2-enoate;1,2-xylene.
What is the SMILES notation for butyl prop-2-enoate;1,2-xylene?
The canonical SMILES for butyl prop-2-enoate;1,2-xylene is C=CC(=O)OCCCC.Cc1ccccc1C.
What is the InChIKey of butyl prop-2-enoate;1,2-xylene?
The InChIKey is UUOAZTSEDCWKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C7H12O2/c1-7-5-3-4-6-8(7)2;1-3-5-6-9-7(8)4-2/h3-6H,1-2H3;4H,2-3,5-6H2,1H3.
What are the key properties of butyl prop-2-enoate;1,2-xylene?
butyl prop-2-enoate;1,2-xylene has a molecular weight of 234.34 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl prop-2-enoate;1,2-xylene is sourced from PubChem (CID 70409011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).