ethyl (4R)-4-formyl-2-methylidenedecanoate

C14H24O3 — CID 135006455

IUPACethyl (4R)-4-formyl-2-methylidenedecanoate
SMILESC=C(C[C@H](C=O)CCCCCC)C(=O)OCC
InChIInChI=1S/C14H24O3/c1-4-6-7-8-9-13(11-15)10-12(3)14(16)17-5-2/h11,13H,3-10H2,1-2H3/t13-/m1/s1
InChIKeyKXEPKQODRMDCLO-CYBMUJFWSA-N
MW240.34 g/mol
LogP3.28
Rot. Bonds10

About ethyl (4R)-4-formyl-2-methylidenedecanoate

ethyl (4R)-4-formyl-2-methylidenedecanoate (PubChem CID 135006455) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is ethyl (4R)-4-formyl-2-methylidenedecanoate.

Molecular Properties

Compound Nameethyl (4R)-4-formyl-2-methylidenedecanoate
PubChem CID135006455
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Nameethyl (4R)-4-formyl-2-methylidenedecanoate
SMILESC=C(C[C@H](C=O)CCCCCC)C(=O)OCC
InChIInChI=1S/C14H24O3/c1-4-6-7-8-9-13(11-15)10-12(3)14(16)17-5-2/h11,13H,3-10H2,1-2H3/t13-/m1/s1
InChIKeyKXEPKQODRMDCLO-CYBMUJFWSA-N
XLogP3.28
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-cyclopentylprop-2-enoate
CID 12924368
5-Hexene-1,3,5-tricarboxylic acid, trimethyl ester
CID 11425398
Ethyl 2-(cyclohexylmethyl)acrylate
CID 11745574
methyl (4R,6R,8R)-4,6,8-trimethyl-2-methylideneundecanoate
CID 134854594
Ethyl 2-methylidenenonanoate
CID 10703126
Ethyl 2-cyclohexylprop-2-enoate
CID 11019501
Ethyl 2-methylideneoctanoate
CID 12456491
Ethyl 2-methylidenedecanoate
CID 13191418
Methyl 2-(cyclohexylmethyl)acrylate
CID 53837850
Ethyl 2-(Cyclopentylmethyl)acrylate
CID 67436395
Ethyl 5,6-dimethyl-2-methylideneheptanoate
CID 134965210
Ethyl 3-fluoro-9-methyl-2-methylidenedecanoate
CID 139772550

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-4-formyl-2-methylidenedecanoate?
The IUPAC name of ethyl (4R)-4-formyl-2-methylidenedecanoate (CID 135006455) is ethyl (4R)-4-formyl-2-methylidenedecanoate.
What is the SMILES notation for ethyl (4R)-4-formyl-2-methylidenedecanoate?
The canonical SMILES for ethyl (4R)-4-formyl-2-methylidenedecanoate is C=C(C[C@H](C=O)CCCCCC)C(=O)OCC.
What is the InChIKey of ethyl (4R)-4-formyl-2-methylidenedecanoate?
The InChIKey is KXEPKQODRMDCLO-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H24O3/c1-4-6-7-8-9-13(11-15)10-12(3)14(16)17-5-2/h11,13H,3-10H2,1-2H3/t13-/m1/s1.
What are the key properties of ethyl (4R)-4-formyl-2-methylidenedecanoate?
ethyl (4R)-4-formyl-2-methylidenedecanoate has a molecular weight of 240.34 g/mol, XLogP of 3.28, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-4-formyl-2-methylidenedecanoate is sourced from PubChem (CID 135006455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).