(Z)-but-2-enedioic acid;2-hydroxypropyl prop-2-enoate;styrene

C18H22O7 — CID 159660578

IUPAC(Z)-but-2-enedioic acid;2-hydroxypropyl prop-2-enoate;styrene
SMILESC=CC(=O)OCC(C)O.C=Cc1ccccc1.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C8H8.C6H10O3.C4H4O4/c1-2-8-6-4-3-5-7-8;1-3-6(8)9-4-5(2)7;5-3(6)1-2-4(7)8/h2-7H,1H2;3,5,7H,1,4H2,2H3;1-2H,(H,5,6)(H,7,8)/b;;2-1-
InChIKeyLQHZDFXFYPFTNO-KSBRXOFISA-N
MW350.37 g/mol
LogP2.14
Rot. Bonds6

About (Z)-but-2-enedioic acid;2-hydroxypropyl prop-2-enoate;styrene

(Z)-but-2-enedioic acid;2-hydroxypropyl prop-2-enoate;styrene (PubChem CID 159660578) has the molecular formula C18H22O7 and a molecular weight of 350.37 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;2-hydroxypropyl prop-2-enoate;styrene.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;2-hydroxypropyl prop-2-enoate;styrene
PubChem CID159660578
Molecular FormulaC18H22O7
Molecular Weight350.37 g/mol
Exact Mass350.14
IUPAC Name(Z)-but-2-enedioic acid;2-hydroxypropyl prop-2-enoate;styrene
SMILESC=CC(=O)OCC(C)O.C=Cc1ccccc1.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C8H8.C6H10O3.C4H4O4/c1-2-8-6-4-3-5-7-8;1-3-6(8)9-4-5(2)7;5-3(6)1-2-4(7)8/h2-7H,1H2;3,5,7H,1,4H2,2H3;1-2H,(H,5,6)(H,7,8)/b;;2-1-
InChIKeyLQHZDFXFYPFTNO-KSBRXOFISA-N
XLogP2.14
TPSA121.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-4-oxobut-2-enoic acid;styrene
CID 67582613
(Z)-but-2-enedioic acid;styrene
CID 67731875
butyl prop-2-enoate;styrene
CID 68545727
bis(butyl prop-2-enoate);styrene
CID 175337841
but-2-enedioic acid;ethane-1,2-diol;styrene
CID 157276113
styrene;tridecyl prop-2-enoate
CID 70120047
methyl 2-methylpropanoate;prop-2-enoic acid;styrene
CID 174972609
4-O-(2-hydroxypropyl) 1-O-(2-phenylethyl) but-2-enedioate
CID 54472095
3-hydroxypropyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;styrene
CID 67929040
1,2-bis(ethenyl)benzene;butyl prop-2-enoate;styrene
CID 6454035
benzyl prop-2-enoate;but-2-enedioic acid
CID 70273802
2-hydroxypropyl prop-2-enoate;3-prop-2-enoyloxypropanoic acid
CID 87645006

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;2-hydroxypropyl prop-2-enoate;styrene?
The IUPAC name of (Z)-but-2-enedioic acid;2-hydroxypropyl prop-2-enoate;styrene (CID 159660578) is (Z)-but-2-enedioic acid;2-hydroxypropyl prop-2-enoate;styrene.
What is the SMILES notation for (Z)-but-2-enedioic acid;2-hydroxypropyl prop-2-enoate;styrene?
The canonical SMILES for (Z)-but-2-enedioic acid;2-hydroxypropyl prop-2-enoate;styrene is C=CC(=O)OCC(C)O.C=Cc1ccccc1.O=C(O)/C=C\C(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;2-hydroxypropyl prop-2-enoate;styrene?
The InChIKey is LQHZDFXFYPFTNO-KSBRXOFISA-N. The full InChI is InChI=1S/C8H8.C6H10O3.C4H4O4/c1-2-8-6-4-3-5-7-8;1-3-6(8)9-4-5(2)7;5-3(6)1-2-4(7)8/h2-7H,1H2;3,5,7H,1,4H2,2H3;1-2H,(H,5,6)(H,7,8)/b;;2-1-.
What are the key properties of (Z)-but-2-enedioic acid;2-hydroxypropyl prop-2-enoate;styrene?
(Z)-but-2-enedioic acid;2-hydroxypropyl prop-2-enoate;styrene has a molecular weight of 350.37 g/mol, XLogP of 2.14, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;2-hydroxypropyl prop-2-enoate;styrene is sourced from PubChem (CID 159660578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).