dodecyl 4-hydroxy-2-methylidenebutanoate

C17H32O3 — CID 161475812

IUPACdodecyl 4-hydroxy-2-methylidenebutanoate
SMILESC=C(CCO)C(=O)OCCCCCCCCCCCC
InChIInChI=1S/C17H32O3/c1-3-4-5-6-7-8-9-10-11-12-15-20-17(19)16(2)13-14-18/h18H,2-15H2,1H3
InChIKeyCPZDHPDUPUTOSA-UHFFFAOYSA-N
MW284.44 g/mol
LogP4.39
Rot. Bonds14

About dodecyl 4-hydroxy-2-methylidenebutanoate

dodecyl 4-hydroxy-2-methylidenebutanoate (PubChem CID 161475812) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is dodecyl 4-hydroxy-2-methylidenebutanoate.

Molecular Properties

Compound Namedodecyl 4-hydroxy-2-methylidenebutanoate
PubChem CID161475812
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Namedodecyl 4-hydroxy-2-methylidenebutanoate
SMILESC=C(CCO)C(=O)OCCCCCCCCCCCC
InChIInChI=1S/C17H32O3/c1-3-4-5-6-7-8-9-10-11-12-15-20-17(19)16(2)13-14-18/h18H,2-15H2,1H3
InChIKeyCPZDHPDUPUTOSA-UHFFFAOYSA-N
XLogP4.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

6-hydroxyhexyl 2-methylidenepentadecanoate
CID 87107597
nonyl 2-methylideneundecanoate
CID 142441213
heptyl 2-methylideneundecanoate
CID 176549260
octadecyl 2-methylideneicosanoate
CID 57219526
nonyl 2-methylidenepentanoate
CID 90751965
pentyl 2-(hydroxymethyl)prop-2-enoate
CID 54519324
butyl 2-methylideneoctanoate
CID 23364330
hexyl 2-methylidenebutanoate;2-methylprop-1-ene
CID 88842326
dioctacosyl 2-methylidenebutanedioate
CID 175314352
4-O-hexyl 1-O-octyl 2-methylidenebutanedioate
CID 174828394
dinonyl 2-methylidenebutanedioate
CID 18618584
4-O-(2-hydroxyethyl) 1-O-pentyl 2-methylidenebutanedioate
CID 159609621

Frequently Asked Questions

What is the IUPAC name of dodecyl 4-hydroxy-2-methylidenebutanoate?
The IUPAC name of dodecyl 4-hydroxy-2-methylidenebutanoate (CID 161475812) is dodecyl 4-hydroxy-2-methylidenebutanoate.
What is the SMILES notation for dodecyl 4-hydroxy-2-methylidenebutanoate?
The canonical SMILES for dodecyl 4-hydroxy-2-methylidenebutanoate is C=C(CCO)C(=O)OCCCCCCCCCCCC.
What is the InChIKey of dodecyl 4-hydroxy-2-methylidenebutanoate?
The InChIKey is CPZDHPDUPUTOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3/c1-3-4-5-6-7-8-9-10-11-12-15-20-17(19)16(2)13-14-18/h18H,2-15H2,1H3.
What are the key properties of dodecyl 4-hydroxy-2-methylidenebutanoate?
dodecyl 4-hydroxy-2-methylidenebutanoate has a molecular weight of 284.44 g/mol, XLogP of 4.39, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl 4-hydroxy-2-methylidenebutanoate is sourced from PubChem (CID 161475812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).