propyl (Z)-3-hydroxy-2-methyl-3-propoxyprop-2-enoate

C10H18O4 — CID 90349424

IUPACpropyl (Z)-3-hydroxy-2-methyl-3-propoxyprop-2-enoate
SMILESCCCOC(=O)/C(C)=C(/O)OCCC
InChIInChI=1S/C10H18O4/c1-4-6-13-9(11)8(3)10(12)14-7-5-2/h11H,4-7H2,1-3H3/b9-8-
InChIKeyGHKGTWVQOOGFDL-HJWRWDBZSA-N
MW202.25 g/mol
LogP2.16
Rot. Bonds6

About propyl (Z)-3-hydroxy-2-methyl-3-propoxyprop-2-enoate

propyl (Z)-3-hydroxy-2-methyl-3-propoxyprop-2-enoate (PubChem CID 90349424) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is propyl (Z)-3-hydroxy-2-methyl-3-propoxyprop-2-enoate.

Molecular Properties

Compound Namepropyl (Z)-3-hydroxy-2-methyl-3-propoxyprop-2-enoate
PubChem CID90349424
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Namepropyl (Z)-3-hydroxy-2-methyl-3-propoxyprop-2-enoate
SMILESCCCOC(=O)/C(C)=C(/O)OCCC
InChIInChI=1S/C10H18O4/c1-4-6-13-9(11)8(3)10(12)14-7-5-2/h11H,4-7H2,1-3H3/b9-8-
InChIKeyGHKGTWVQOOGFDL-HJWRWDBZSA-N
XLogP2.16
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propyl (Z)-3-hydroxy-2-methyl-3-propoxyprop-2-enoate?
The IUPAC name of propyl (Z)-3-hydroxy-2-methyl-3-propoxyprop-2-enoate (CID 90349424) is propyl (Z)-3-hydroxy-2-methyl-3-propoxyprop-2-enoate.
What is the SMILES notation for propyl (Z)-3-hydroxy-2-methyl-3-propoxyprop-2-enoate?
The canonical SMILES for propyl (Z)-3-hydroxy-2-methyl-3-propoxyprop-2-enoate is CCCOC(=O)/C(C)=C(/O)OCCC.
What is the InChIKey of propyl (Z)-3-hydroxy-2-methyl-3-propoxyprop-2-enoate?
The InChIKey is GHKGTWVQOOGFDL-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H18O4/c1-4-6-13-9(11)8(3)10(12)14-7-5-2/h11H,4-7H2,1-3H3/b9-8-.
What are the key properties of propyl (Z)-3-hydroxy-2-methyl-3-propoxyprop-2-enoate?
propyl (Z)-3-hydroxy-2-methyl-3-propoxyprop-2-enoate has a molecular weight of 202.25 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (Z)-3-hydroxy-2-methyl-3-propoxyprop-2-enoate is sourced from PubChem (CID 90349424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).