ethane-1,2-diol;ethoxyethane;4-prop-2-enoyloxybutyl prop-2-enoate

C16H30O7 — CID 155023920

IUPACethane-1,2-diol;ethoxyethane;4-prop-2-enoyloxybutyl prop-2-enoate
SMILESC=CC(=O)OCCCCOC(=O)C=C.CCOCC.OCCO
InChIInChI=1S/C10H14O4.C4H10O.C2H6O2/c1-3-9(11)13-7-5-6-8-14-10(12)4-2;1-3-5-4-2;3-1-2-4/h3-4H,1-2,5-8H2;3-4H2,1-2H3;3-4H,1-2H2
InChIKeyCBXSAGHHGLFBGB-UHFFFAOYSA-N
MW334.41 g/mol
LogP1.24
Rot. Bonds10

About ethane-1,2-diol;ethoxyethane;4-prop-2-enoyloxybutyl prop-2-enoate

ethane-1,2-diol;ethoxyethane;4-prop-2-enoyloxybutyl prop-2-enoate (PubChem CID 155023920) has the molecular formula C16H30O7 and a molecular weight of 334.41 g/mol. Its IUPAC name is ethane-1,2-diol;ethoxyethane;4-prop-2-enoyloxybutyl prop-2-enoate.

Molecular Properties

Compound Nameethane-1,2-diol;ethoxyethane;4-prop-2-enoyloxybutyl prop-2-enoate
PubChem CID155023920
Molecular FormulaC16H30O7
Molecular Weight334.41 g/mol
Exact Mass334.20
IUPAC Nameethane-1,2-diol;ethoxyethane;4-prop-2-enoyloxybutyl prop-2-enoate
SMILESC=CC(=O)OCCCCOC(=O)C=C.CCOCC.OCCO
InChIInChI=1S/C10H14O4.C4H10O.C2H6O2/c1-3-9(11)13-7-5-6-8-14-10(12)4-2;1-3-5-4-2;3-1-2-4/h3-4H,1-2,5-8H2;3-4H2,1-2H3;3-4H,1-2H2
InChIKeyCBXSAGHHGLFBGB-UHFFFAOYSA-N
XLogP1.24
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

ethoxyethane;2-hydroxyethyl prop-2-enoate
CID 87338158
4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(4-ethoxybutoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butyl prop-2-enoate
CID 22918013
6-ethoxyhexyl prop-2-enoate
CID 88877184
ethane-1,2-diol;hexyl prop-2-enoate
CID 87769837
2-(2-ethoxyethoxy)ethyl prop-2-enoate;pentyl prop-2-enoate
CID 174792741
10-hydroxydecyl prop-2-enoate
CID 14715958
11-hydroxyundecyl prop-2-enoate
CID 54223498
19-hydroxynonadecyl prop-2-enoate
CID 20625688
12-hydroxydodecyl prop-2-enoate
CID 19859974
decan-1-ol;decyl prop-2-enoate
CID 158001479
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;ethoxyethane;4-prop-2-enoyloxybutyl prop-2-enoate?
The IUPAC name of ethane-1,2-diol;ethoxyethane;4-prop-2-enoyloxybutyl prop-2-enoate (CID 155023920) is ethane-1,2-diol;ethoxyethane;4-prop-2-enoyloxybutyl prop-2-enoate.
What is the SMILES notation for ethane-1,2-diol;ethoxyethane;4-prop-2-enoyloxybutyl prop-2-enoate?
The canonical SMILES for ethane-1,2-diol;ethoxyethane;4-prop-2-enoyloxybutyl prop-2-enoate is C=CC(=O)OCCCCOC(=O)C=C.CCOCC.OCCO.
What is the InChIKey of ethane-1,2-diol;ethoxyethane;4-prop-2-enoyloxybutyl prop-2-enoate?
The InChIKey is CBXSAGHHGLFBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4.C4H10O.C2H6O2/c1-3-9(11)13-7-5-6-8-14-10(12)4-2;1-3-5-4-2;3-1-2-4/h3-4H,1-2,5-8H2;3-4H2,1-2H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;ethoxyethane;4-prop-2-enoyloxybutyl prop-2-enoate?
ethane-1,2-diol;ethoxyethane;4-prop-2-enoyloxybutyl prop-2-enoate has a molecular weight of 334.41 g/mol, XLogP of 1.24, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;ethoxyethane;4-prop-2-enoyloxybutyl prop-2-enoate is sourced from PubChem (CID 155023920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).