CID 101238236

C15H17O4 — CID 101238236

IUPAC—
SMILESC=CCC(Cc1[c]cccc1)(C(=O)OC)C(=O)OC
InChIInChI=1S/C15H17O4/c1-4-10-15(13(16)18-2,14(17)19-3)11-12-8-6-5-7-9-12/h4-8H,1,10-11H2,2-3H3
InChIKeyMZMHXQUKAOIANY-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.94
Rot. Bonds6

About CID 101238236

CID 101238236 (PubChem CID 101238236) has the molecular formula C15H17O4 and a molecular weight of 261.30 g/mol.

Molecular Properties

Compound NameCID 101238236
PubChem CID101238236
Molecular FormulaC15H17O4
Molecular Weight261.30 g/mol
Exact Mass261.11
IUPAC Name—
SMILESC=CCC(Cc1[c]cccc1)(C(=O)OC)C(=O)OC
InChIInChI=1S/C15H17O4/c1-4-10-15(13(16)18-2,14(17)19-3)11-12-8-6-5-7-9-12/h4-8H,1,10-11H2,2-3H3
InChIKeyMZMHXQUKAOIANY-UHFFFAOYSA-N
XLogP1.94
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 101238236 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-[(2-cyanophenyl)methyl]-2-prop-2-enylpropanedioate
CID 10946103
dimethyl 2-(3-phenylprop-2-ynyl)-2-prop-2-enylpropanedioate
CID 11196924
tetramethyl (6E)-dodeca-1,6,11-triene-3,3,8,8-tetracarboxylate
CID 11349994
dimethyl 2-(2-oxopropyl)-2-prop-2-enylpropanedioate
CID 46895391
dimethyl 2-[(E)-but-2-enyl]-2-prop-2-enylpropanedioate
CID 10609285
methyl 2-benzyl-2-cyanopent-4-enoate
CID 122226201
methyl (2S)-2-phenyl-2-prop-2-enoxypent-4-enoate
CID 101079952
dimethyl 2-but-3-enyl-2-[(1-methylindol-2-yl)methyl]propanedioate
CID 101402235
3-benzyl-3-prop-2-enylpentane-2,4-dione
CID 154723587
methyl 2-benzyl-2-[(4-methylbenzoyl)amino]pent-4-enoate
CID 102084219
methyl 2-benzyl-2-(benzylideneamino)pent-4-enoate
CID 18722156
dimethyl 2-buta-2,3-dienyl-2-[[2-[3-methoxy-2-methoxycarbonyl-2-[[2-[3-methoxy-2-methoxycarbonyl-2-[[2-(3-methoxy-2-methoxycarbonyl-3-oxopropyl)phenyl]methyl]-3-oxopropyl]phenyl]methyl]-3-oxopropyl]phenyl]methyl]propanedioate
CID 102496440

Frequently Asked Questions

What is the IUPAC name of CID 101238236?
The IUPAC name of CID 101238236 (CID 101238236) is not available.
What is the SMILES notation for CID 101238236?
The canonical SMILES for CID 101238236 is C=CCC(Cc1[c]cccc1)(C(=O)OC)C(=O)OC.
What is the InChIKey of CID 101238236?
The InChIKey is MZMHXQUKAOIANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17O4/c1-4-10-15(13(16)18-2,14(17)19-3)11-12-8-6-5-7-9-12/h4-8H,1,10-11H2,2-3H3.
What are the key properties of CID 101238236?
CID 101238236 has a molecular weight of 261.30 g/mol, XLogP of 1.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101238236 is sourced from PubChem (CID 101238236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).