ethane-1,2-diol;ethoxyethane;bis(prop-1-ene);prop-2-enyl 2-methylprop-2-enoate

C19H38O5 — CID 173061128

IUPACethane-1,2-diol;ethoxyethane;bis(prop-1-ene);prop-2-enyl 2-methylprop-2-enoate
SMILESC=CC.C=CC.C=CCOC(=O)C(=C)C.CCOCC.OCCO
InChIInChI=1S/C7H10O2.C4H10O.2C3H6.C2H6O2/c1-4-5-9-7(8)6(2)3;1-3-5-4-2;2*1-3-2;3-1-2-4/h4H,1-2,5H2,3H3;3-4H2,1-2H3;2*3H,1H2,2H3;3-4H,1-2H2
InChIKeyHFEAIXAEBAIVEN-UHFFFAOYSA-N
MW346.51 g/mol
LogP3.69
Rot. Bonds6

About ethane-1,2-diol;ethoxyethane;bis(prop-1-ene);prop-2-enyl 2-methylprop-2-enoate

ethane-1,2-diol;ethoxyethane;bis(prop-1-ene);prop-2-enyl 2-methylprop-2-enoate (PubChem CID 173061128) has the molecular formula C19H38O5 and a molecular weight of 346.51 g/mol. Its IUPAC name is ethane-1,2-diol;ethoxyethane;bis(prop-1-ene);prop-2-enyl 2-methylprop-2-enoate.

Molecular Properties

Compound Nameethane-1,2-diol;ethoxyethane;bis(prop-1-ene);prop-2-enyl 2-methylprop-2-enoate
PubChem CID173061128
Molecular FormulaC19H38O5
Molecular Weight346.51 g/mol
Exact Mass346.27
IUPAC Nameethane-1,2-diol;ethoxyethane;bis(prop-1-ene);prop-2-enyl 2-methylprop-2-enoate
SMILESC=CC.C=CC.C=CCOC(=O)C(=C)C.CCOCC.OCCO
InChIInChI=1S/C7H10O2.C4H10O.2C3H6.C2H6O2/c1-4-5-9-7(8)6(2)3;1-3-5-4-2;2*1-3-2;3-1-2-4/h4H,1-2,5H2,3H3;3-4H2,1-2H3;2*3H,1H2,2H3;3-4H,1-2H2
InChIKeyHFEAIXAEBAIVEN-UHFFFAOYSA-N
XLogP3.69
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.51
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

ethoxyethane;prop-2-enyl 2-methylprop-2-enoate
CID 87074537
bis(ethane-1,2-diol);ethoxyethane;bis(prop-1-ene)
CID 173332144
ethane-1,2-diol;ethoxyethane;prop-1-ene
CID 87195266
2-hydroxyethyl 2-methylprop-2-enoate;octakis(prop-1-ene)
CID 173395322
ethane-1,2-diol;ethoxyethane;2-methylprop-2-enamide
CID 135223256
2-methylbut-2-enoic acid;prop-2-enyl 2-methylprop-2-enoate
CID 173460089
2-hydroxyethyl 2-methylprop-2-enoate;prop-2-enyl acetate
CID 175328029
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene)
CID 173326779
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;hexakis(prop-1-ene)
CID 173226000
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;nonakis(prop-1-ene)
CID 173068986
acetic acid;ethoxyethane;prop-1-ene
CID 87985609
methyl 2-hydroxyprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate
CID 175307353

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;ethoxyethane;bis(prop-1-ene);prop-2-enyl 2-methylprop-2-enoate?
The IUPAC name of ethane-1,2-diol;ethoxyethane;bis(prop-1-ene);prop-2-enyl 2-methylprop-2-enoate (CID 173061128) is ethane-1,2-diol;ethoxyethane;bis(prop-1-ene);prop-2-enyl 2-methylprop-2-enoate.
What is the SMILES notation for ethane-1,2-diol;ethoxyethane;bis(prop-1-ene);prop-2-enyl 2-methylprop-2-enoate?
The canonical SMILES for ethane-1,2-diol;ethoxyethane;bis(prop-1-ene);prop-2-enyl 2-methylprop-2-enoate is C=CC.C=CC.C=CCOC(=O)C(=C)C.CCOCC.OCCO.
What is the InChIKey of ethane-1,2-diol;ethoxyethane;bis(prop-1-ene);prop-2-enyl 2-methylprop-2-enoate?
The InChIKey is HFEAIXAEBAIVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2.C4H10O.2C3H6.C2H6O2/c1-4-5-9-7(8)6(2)3;1-3-5-4-2;2*1-3-2;3-1-2-4/h4H,1-2,5H2,3H3;3-4H2,1-2H3;2*3H,1H2,2H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;ethoxyethane;bis(prop-1-ene);prop-2-enyl 2-methylprop-2-enoate?
ethane-1,2-diol;ethoxyethane;bis(prop-1-ene);prop-2-enyl 2-methylprop-2-enoate has a molecular weight of 346.51 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;ethoxyethane;bis(prop-1-ene);prop-2-enyl 2-methylprop-2-enoate is sourced from PubChem (CID 173061128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).