ethyl (4S)-4-[(1S)-2-chloro-1-methoxyethyl]-3-oxotetradecanoate

C19H35ClO4 — CID 11152692

IUPACethyl (4S)-4-[(1S)-2-chloro-1-methoxyethyl]-3-oxotetradecanoate
SMILESCCCCCCCCCC[C@H](C(=O)CC(=O)OCC)[C@@H](CCl)OC
InChIInChI=1S/C19H35ClO4/c1-4-6-7-8-9-10-11-12-13-16(18(15-20)23-3)17(21)14-19(22)24-5-2/h16,18H,4-15H2,1-3H3/t16-,18-/m1/s1
InChIKeyMPDZGLPYLQHLKZ-SJLPKXTDSA-N
MW362.94 g/mol
LogP4.91
Rot. Bonds16

About ethyl (4S)-4-[(1S)-2-chloro-1-methoxyethyl]-3-oxotetradecanoate

ethyl (4S)-4-[(1S)-2-chloro-1-methoxyethyl]-3-oxotetradecanoate (PubChem CID 11152692) has the molecular formula C19H35ClO4 and a molecular weight of 362.94 g/mol. Its IUPAC name is ethyl (4S)-4-[(1S)-2-chloro-1-methoxyethyl]-3-oxotetradecanoate.

Molecular Properties

Compound Nameethyl (4S)-4-[(1S)-2-chloro-1-methoxyethyl]-3-oxotetradecanoate
PubChem CID11152692
Molecular FormulaC19H35ClO4
Molecular Weight362.94 g/mol
Exact Mass362.22
IUPAC Nameethyl (4S)-4-[(1S)-2-chloro-1-methoxyethyl]-3-oxotetradecanoate
SMILESCCCCCCCCCC[C@H](C(=O)CC(=O)OCC)[C@@H](CCl)OC
InChIInChI=1S/C19H35ClO4/c1-4-6-7-8-9-10-11-12-13-16(18(15-20)23-3)17(21)14-19(22)24-5-2/h16,18H,4-15H2,1-3H3/t16-,18-/m1/s1
InChIKeyMPDZGLPYLQHLKZ-SJLPKXTDSA-N
XLogP4.91
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.94
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze ethyl (4S)-4-[(1S)-2-chloro-1-methoxyethyl]-3-oxotetradecanoate 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

dimethyl 2,3-dihexadecylbutanedioate
CID 141293335
ethyl 3-butylnonanoate
CID 131636821
ethyl 3-hydroxy-2-octyltetradecanoate
CID 175541999
ethyl 4-acetyl-3-oxooctanoate
CID 174725021
dimethyl 2-dodecylpropanedioate
CID 158514957
diethyl (2S,3R)-2-hydroxy-3-tetracosylbutanedioate
CID 57333842
methyl 2-propan-2-yltetradecanoate
CID 118450856
diethyl 2-octylbutanedioate
CID 15054026
tris(4-O-ethyl 1-O-methyl butanedioate);methane;bis(2-methyldodecane);tetrakis(2-methyltridecane);bis(2-methylundecane)
CID 160546445
ethyl 2-ethyldocosanoate
CID 175304380
ethyl 6-pentylpentadecanoate
CID 86165388
1-chloropentane;3-ethoxy-3-oxopropanoic acid
CID 174303485

Frequently Asked Questions

What is the IUPAC name of ethyl (4S)-4-[(1S)-2-chloro-1-methoxyethyl]-3-oxotetradecanoate?
The IUPAC name of ethyl (4S)-4-[(1S)-2-chloro-1-methoxyethyl]-3-oxotetradecanoate (CID 11152692) is ethyl (4S)-4-[(1S)-2-chloro-1-methoxyethyl]-3-oxotetradecanoate.
What is the SMILES notation for ethyl (4S)-4-[(1S)-2-chloro-1-methoxyethyl]-3-oxotetradecanoate?
The canonical SMILES for ethyl (4S)-4-[(1S)-2-chloro-1-methoxyethyl]-3-oxotetradecanoate is CCCCCCCCCC[C@H](C(=O)CC(=O)OCC)[C@@H](CCl)OC.
What is the InChIKey of ethyl (4S)-4-[(1S)-2-chloro-1-methoxyethyl]-3-oxotetradecanoate?
The InChIKey is MPDZGLPYLQHLKZ-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H35ClO4/c1-4-6-7-8-9-10-11-12-13-16(18(15-20)23-3)17(21)14-19(22)24-5-2/h16,18H,4-15H2,1-3H3/t16-,18-/m1/s1.
What are the key properties of ethyl (4S)-4-[(1S)-2-chloro-1-methoxyethyl]-3-oxotetradecanoate?
ethyl (4S)-4-[(1S)-2-chloro-1-methoxyethyl]-3-oxotetradecanoate has a molecular weight of 362.94 g/mol, XLogP of 4.91, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4S)-4-[(1S)-2-chloro-1-methoxyethyl]-3-oxotetradecanoate is sourced from PubChem (CID 11152692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).