ethene;2-hydroxy-4-(2-hydroxyethoxy)-4-oxobutanoic acid;2-propan-2-yloxypropane

C16H32O7 — CID 173084371

IUPACethene;2-hydroxy-4-(2-hydroxyethoxy)-4-oxobutanoic acid;2-propan-2-yloxypropane
SMILESC=C.C=C.CC(C)OC(C)C.O=C(CC(O)C(=O)O)OCCO
InChIInChI=1S/C6H10O6.C6H14O.2C2H4/c7-1-2-12-5(9)3-4(8)6(10)11;1-5(2)7-6(3)4;2*1-2/h4,7-8H,1-3H2,(H,10,11);5-6H,1-4H3;2*1-2H2
InChIKeyMAHUVUOXQBMHJY-UHFFFAOYSA-N
MW336.43 g/mol
LogP1.78
Rot. Bonds7

About ethene;2-hydroxy-4-(2-hydroxyethoxy)-4-oxobutanoic acid;2-propan-2-yloxypropane

ethene;2-hydroxy-4-(2-hydroxyethoxy)-4-oxobutanoic acid;2-propan-2-yloxypropane (PubChem CID 173084371) has the molecular formula C16H32O7 and a molecular weight of 336.43 g/mol. Its IUPAC name is ethene;2-hydroxy-4-(2-hydroxyethoxy)-4-oxobutanoic acid;2-propan-2-yloxypropane.

Molecular Properties

Compound Nameethene;2-hydroxy-4-(2-hydroxyethoxy)-4-oxobutanoic acid;2-propan-2-yloxypropane
PubChem CID173084371
Molecular FormulaC16H32O7
Molecular Weight336.43 g/mol
Exact Mass336.21
IUPAC Nameethene;2-hydroxy-4-(2-hydroxyethoxy)-4-oxobutanoic acid;2-propan-2-yloxypropane
SMILESC=C.C=C.CC(C)OC(C)C.O=C(CC(O)C(=O)O)OCCO
InChIInChI=1S/C6H10O6.C6H14O.2C2H4/c7-1-2-12-5(9)3-4(8)6(10)11;1-5(2)7-6(3)4;2*1-2/h4,7-8H,1-3H2,(H,10,11);5-6H,1-4H3;2*1-2H2
InChIKeyMAHUVUOXQBMHJY-UHFFFAOYSA-N
XLogP1.78
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethene;2-hydroxy-4-(2-hydroxyethoxy)-4-oxobutanoic acid;2-propan-2-yloxypropane 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

(E)-3,4-dimethylhex-3-ene;4-(2-hydroxyethoxy)-4-oxobutanoic acid;2-propan-2-yloxypropane
CID 87468331
2-hydroxybutanedioic acid;2-hydroxyethyl 2-methylprop-2-enoate
CID 87085707
4-[2-(diethylamino)ethoxy]-2-hydroxy-4-oxobutanoic acid
CID 87383498
azane;4-[2-(diethylamino)ethoxy]-2-hydroxy-4-oxobutanoic acid
CID 87383497
2-hydroxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 174790415
4-O-(2-hydroxyethyl) 1-O-prop-2-enoyl 2-methylbutanedioate
CID 174419745
2-hydroxyethyl (2R)-2-hydroxypropanoate
CID 14273570
4-[2,2-bis(prop-2-enoxymethyl)butoxy]-2-hydroxy-4-oxobutanoic acid
CID 90473270
2-hydroxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethanol
CID 87459914
4-(4-ethoxy-4-oxobutan-2-yl)oxy-2-hydroxy-4-oxobutanoic acid
CID 162441222
2-hydroxyethyl propanoate;propanoic acid
CID 175568032
bis(3-methylbutyl) 2-hydroxybutanedioate
CID 10308226

Frequently Asked Questions

What is the IUPAC name of ethene;2-hydroxy-4-(2-hydroxyethoxy)-4-oxobutanoic acid;2-propan-2-yloxypropane?
The IUPAC name of ethene;2-hydroxy-4-(2-hydroxyethoxy)-4-oxobutanoic acid;2-propan-2-yloxypropane (CID 173084371) is ethene;2-hydroxy-4-(2-hydroxyethoxy)-4-oxobutanoic acid;2-propan-2-yloxypropane.
What is the SMILES notation for ethene;2-hydroxy-4-(2-hydroxyethoxy)-4-oxobutanoic acid;2-propan-2-yloxypropane?
The canonical SMILES for ethene;2-hydroxy-4-(2-hydroxyethoxy)-4-oxobutanoic acid;2-propan-2-yloxypropane is C=C.C=C.CC(C)OC(C)C.O=C(CC(O)C(=O)O)OCCO.
What is the InChIKey of ethene;2-hydroxy-4-(2-hydroxyethoxy)-4-oxobutanoic acid;2-propan-2-yloxypropane?
The InChIKey is MAHUVUOXQBMHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O6.C6H14O.2C2H4/c7-1-2-12-5(9)3-4(8)6(10)11;1-5(2)7-6(3)4;2*1-2/h4,7-8H,1-3H2,(H,10,11);5-6H,1-4H3;2*1-2H2.
What are the key properties of ethene;2-hydroxy-4-(2-hydroxyethoxy)-4-oxobutanoic acid;2-propan-2-yloxypropane?
ethene;2-hydroxy-4-(2-hydroxyethoxy)-4-oxobutanoic acid;2-propan-2-yloxypropane has a molecular weight of 336.43 g/mol, XLogP of 1.78, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-hydroxy-4-(2-hydroxyethoxy)-4-oxobutanoic acid;2-propan-2-yloxypropane is sourced from PubChem (CID 173084371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).