butyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate;styrene

C27H34O5 — CID 66750102

IUPACbutyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate;styrene
SMILESC=C(C)C(=O)OCCCC.C=CC(=O)OCCOc1ccccc1.C=Cc1ccccc1
InChIInChI=1S/C11H12O3.C8H14O2.C8H8/c1-2-11(12)14-9-8-13-10-6-4-3-5-7-10;1-4-5-6-10-8(9)7(2)3;1-2-8-6-4-3-5-7-8/h2-7H,1,8-9H2;2,4-6H2,1,3H3;2-7H,1H2
InChIKeyWNEOPCDPTXMGHK-UHFFFAOYSA-N
MW438.56 g/mol
LogP6.03
Rot. Bonds10

About butyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate;styrene

butyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate;styrene (PubChem CID 66750102) has the molecular formula C27H34O5 and a molecular weight of 438.56 g/mol. Its IUPAC name is butyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate;styrene.

Molecular Properties

Compound Namebutyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate;styrene
PubChem CID66750102
Molecular FormulaC27H34O5
Molecular Weight438.56 g/mol
Exact Mass438.24
IUPAC Namebutyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate;styrene
SMILESC=C(C)C(=O)OCCCC.C=CC(=O)OCCOc1ccccc1.C=Cc1ccccc1
InChIInChI=1S/C11H12O3.C8H14O2.C8H8/c1-2-11(12)14-9-8-13-10-6-4-3-5-7-10;1-4-5-6-10-8(9)7(2)3;1-2-8-6-4-3-5-7-8/h2-7H,1,8-9H2;2,4-6H2,1,3H3;2-7H,1H2
InChIKeyWNEOPCDPTXMGHK-UHFFFAOYSA-N
XLogP6.03
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.56
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze butyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate;styrene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butyl 2-methylprop-2-enoate;butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;styrene
CID 70469548
butyl 2-methylprop-2-enoate;butyl prop-2-enoate;3-hydroxypropyl prop-2-enoate;prop-2-enoic acid;styrene
CID 158235097
butyl prop-2-enoate;styrene
CID 68545727
bis(butyl prop-2-enoate);styrene
CID 175337841
butyl prop-2-enoate;ethenyl(trimethyl)silane;methyl 2-methylprop-2-enoate;styrene
CID 174489864
butyl 2-methylprop-2-enoate;butyl prop-2-enoate;3-hydroxypropyl prop-2-enoate;styrene;2,4,4-trimethylpent-1-ene
CID 131724292
butyl prop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;prop-2-enamide;styrene
CID 160851195
2-(4-benzoyl-3-hydroxyphenoxy)ethyl prop-2-enoate;butyl 2-methylprop-2-enoate
CID 67726276
1,2-bis(ethenyl)benzene;butyl prop-2-enoate;styrene
CID 6454035
styrene;tridecyl prop-2-enoate
CID 70120047
5-butoxycarbonyl-2-methylhexa-2,5-dienoic acid;butyl prop-2-enoate;styrene
CID 70224354
2-naphthalen-2-yloxyethyl 2-methylprop-2-enoate;2-naphthalen-2-yloxyethyl prop-2-enoate
CID 139533290

Frequently Asked Questions

What is the IUPAC name of butyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate;styrene?
The IUPAC name of butyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate;styrene (CID 66750102) is butyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate;styrene.
What is the SMILES notation for butyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate;styrene?
The canonical SMILES for butyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate;styrene is C=C(C)C(=O)OCCCC.C=CC(=O)OCCOc1ccccc1.C=Cc1ccccc1.
What is the InChIKey of butyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate;styrene?
The InChIKey is WNEOPCDPTXMGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3.C8H14O2.C8H8/c1-2-11(12)14-9-8-13-10-6-4-3-5-7-10;1-4-5-6-10-8(9)7(2)3;1-2-8-6-4-3-5-7-8/h2-7H,1,8-9H2;2,4-6H2,1,3H3;2-7H,1H2.
What are the key properties of butyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate;styrene?
butyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate;styrene has a molecular weight of 438.56 g/mol, XLogP of 6.03, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate;styrene is sourced from PubChem (CID 66750102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).