methyl 6-hydroxy-2-methylidenehexanoate;prop-2-en-1-ol

C11H20O4 — CID 174878856

IUPACmethyl 6-hydroxy-2-methylidenehexanoate;prop-2-en-1-ol
SMILESC=C(CCCCO)C(=O)OC.C=CCO
InChIInChI=1S/C8H14O3.C3H6O/c1-7(8(10)11-2)5-3-4-6-9;1-2-3-4/h9H,1,3-6H2,2H3;2,4H,1,3H2
InChIKeyJRIAYSKICFTNGQ-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.04
Rot. Bonds6

About methyl 6-hydroxy-2-methylidenehexanoate;prop-2-en-1-ol

methyl 6-hydroxy-2-methylidenehexanoate;prop-2-en-1-ol (PubChem CID 174878856) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl 6-hydroxy-2-methylidenehexanoate;prop-2-en-1-ol.

Molecular Properties

Compound Namemethyl 6-hydroxy-2-methylidenehexanoate;prop-2-en-1-ol
PubChem CID174878856
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Namemethyl 6-hydroxy-2-methylidenehexanoate;prop-2-en-1-ol
SMILESC=C(CCCCO)C(=O)OC.C=CCO
InChIInChI=1S/C8H14O3.C3H6O/c1-7(8(10)11-2)5-3-4-6-9;1-2-3-4/h9H,1,3-6H2,2H3;2,4H,1,3H2
InChIKeyJRIAYSKICFTNGQ-UHFFFAOYSA-N
XLogP1.04
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 6-hydroxy-2-methylidenehexanoate;prop-2-en-1-ol 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

methyl 2-methylidenehex-5-enoate
CID 12706152
methyl 5-ethenoxy-2-methylidenepentanoate
CID 23505086
methyl 7-methoxy-2-methylideneheptanoate
CID 20669689
methyl 8-methyl-2-methylidenenonanoate
CID 141066722
methyl (Z)-2-methylideneoctadec-9-enoate
CID 88735590
methyl 2-methylidene-6-phosphonooxyhexanoate
CID 58340254
6-hydroxyhexyl 2-methylidenepentadecanoate
CID 87107597
methyl 2-methylidenehexanoate;2-methylprop-2-enoic acid
CID 141470082
dimethyl 2-methylidenepentanedioate;3-hydroxypropyl 2-methylprop-2-enoate
CID 156579745
methyl 2-methylidene-4-methylperoxybutanoate
CID 59930840
methyl (9S,10S)-9,10-dibromo-2-methylideneoctadecanoate
CID 129383075
methyl (9R,10S)-9,10-dibromo-2-methylideneoctadecanoate
CID 129383073

Frequently Asked Questions

What is the IUPAC name of methyl 6-hydroxy-2-methylidenehexanoate;prop-2-en-1-ol?
The IUPAC name of methyl 6-hydroxy-2-methylidenehexanoate;prop-2-en-1-ol (CID 174878856) is methyl 6-hydroxy-2-methylidenehexanoate;prop-2-en-1-ol.
What is the SMILES notation for methyl 6-hydroxy-2-methylidenehexanoate;prop-2-en-1-ol?
The canonical SMILES for methyl 6-hydroxy-2-methylidenehexanoate;prop-2-en-1-ol is C=C(CCCCO)C(=O)OC.C=CCO.
What is the InChIKey of methyl 6-hydroxy-2-methylidenehexanoate;prop-2-en-1-ol?
The InChIKey is JRIAYSKICFTNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3.C3H6O/c1-7(8(10)11-2)5-3-4-6-9;1-2-3-4/h9H,1,3-6H2,2H3;2,4H,1,3H2.
What are the key properties of methyl 6-hydroxy-2-methylidenehexanoate;prop-2-en-1-ol?
methyl 6-hydroxy-2-methylidenehexanoate;prop-2-en-1-ol has a molecular weight of 216.28 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-hydroxy-2-methylidenehexanoate;prop-2-en-1-ol is sourced from PubChem (CID 174878856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).