CID 162397637

C15H25O4 — CID 162397637

IUPAC—
SMILESC[CH]CC(CC=C(C)C)(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C15H25O4/c1-6-10-15(11-9-12(4)5,13(16)18-7-2)14(17)19-8-3/h6,9H,7-8,10-11H2,1-5H3
InChIKeyDFZKTIXWSRKQOK-UHFFFAOYSA-N
MW269.36 g/mol
LogP3.07
Rot. Bonds8

About CID 162397637

CID 162397637 (PubChem CID 162397637) has the molecular formula C15H25O4 and a molecular weight of 269.36 g/mol.

Molecular Properties

Compound NameCID 162397637
PubChem CID162397637
Molecular FormulaC15H25O4
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC Name—
SMILESC[CH]CC(CC=C(C)C)(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C15H25O4/c1-6-10-15(11-9-12(4)5,13(16)18-7-2)14(17)19-8-3/h6,9H,7-8,10-11H2,1-5H3
InChIKeyDFZKTIXWSRKQOK-UHFFFAOYSA-N
XLogP3.07
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 53.07
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'}

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Related Compounds

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ethyl (2R)-2-(2,2-dimethylpropanoyl)-2,5-dimethylhex-4-enoate
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diethyl 2-[(E)-2-cyanobut-2-enyl]-2-[(E)-3-cyanobut-2-enyl]propanedioate
CID 72723264
diethyl 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-[(E)-3-phenylprop-2-enyl]propanedioate
CID 53381295
ethyl 2-acetyl-4-oxo-2-(2-oxopropyl)pentanoate
CID 13025253
1-O-ethyl 3-O-propyl 2,2-bis(prop-2-enyl)propanedioate
CID 59168581
2-(2-bromophenyl)-2-ethoxycarbonyl-5-methylhex-4-enoic acid
CID 103975096
(E)-2-ethoxycarbonyl-2-ethylhex-4-enoic acid
CID 103974452
diethyl 2-[(Z)-but-2-en-2-yl]-2-methylpropanedioate
CID 92524239
diethyl 2-(3-methylbut-2-enyl)-2-(4-phenyl-4-phenyliminobut-2-ynyl)propanedioate
CID 132523167
diethyl 2-but-2-ynyl-2-(3,3-difluoroprop-2-enyl)propanedioate
CID 102055412
diethyl 2-[(Z)-but-2-enyl]-2-butylpropanedioate
CID 5356862

Frequently Asked Questions

What is the IUPAC name of CID 162397637?
The IUPAC name of CID 162397637 (CID 162397637) is not available.
What is the SMILES notation for CID 162397637?
The canonical SMILES for CID 162397637 is C[CH]CC(CC=C(C)C)(C(=O)OCC)C(=O)OCC.
What is the InChIKey of CID 162397637?
The InChIKey is DFZKTIXWSRKQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25O4/c1-6-10-15(11-9-12(4)5,13(16)18-7-2)14(17)19-8-3/h6,9H,7-8,10-11H2,1-5H3.
What are the key properties of CID 162397637?
CID 162397637 has a molecular weight of 269.36 g/mol, XLogP of 3.07, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162397637 is sourced from PubChem (CID 162397637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).