CID 162397704

C15H23O4 — CID 162397704

IUPAC—
SMILESCCOC(=O)C1(C(=O)OCC)CC(C)=C([C](C)C)C1
InChIInChI=1S/C15H23O4/c1-6-18-13(16)15(14(17)19-7-2)8-11(5)12(9-15)10(3)4/h6-9H2,1-5H3
InChIKeyLPRDOLYPEBKLJX-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.82
Rot. Bonds5

About CID 162397704

CID 162397704 (PubChem CID 162397704) has the molecular formula C15H23O4 and a molecular weight of 267.34 g/mol.

Molecular Properties

Compound NameCID 162397704
PubChem CID162397704
Molecular FormulaC15H23O4
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name—
SMILESCCOC(=O)C1(C(=O)OCC)CC(C)=C([C](C)C)C1
InChIInChI=1S/C15H23O4/c1-6-18-13(16)15(14(17)19-7-2)8-11(5)12(9-15)10(3)4/h6-9H2,1-5H3
InChIKeyLPRDOLYPEBKLJX-UHFFFAOYSA-N
XLogP2.82
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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diethyl 4,6-dihydrocyclopenta[c]furan-5,5-dicarboxylate
CID 15814402
diethyl 4,7-dioxo-1,3-dihydroindene-2,2-dicarboxylate
CID 121351241
hexaethyl tetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene-3,3,11,11,19,19-hexacarboxylate
CID 15782308
diethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate
CID 71603292
ethyl 3,4-dimethyl-1-(2,2,2-trifluoroacetyl)cyclohex-3-ene-1-carboxylate
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diethyl 3-methyl-4-[(Z)-2-(2-methylphenyl)ethenyl]cyclopent-3-ene-1,1-dicarboxylate
CID 24949820
triethyl 6-methyl-1,3-dihydroindene-2,2,5-tricarboxylate
CID 59398642
diethyl 3-methyl-4-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]cyclopent-3-ene-1,1-dicarboxylate
CID 102473367
ethyl 4-acetylpiperidine-4-carboxylate
CID 79001872
ethyl 1-carbamothioylcyclopropane-1-carboxylate
CID 155971303

Frequently Asked Questions

What is the IUPAC name of CID 162397704?
The IUPAC name of CID 162397704 (CID 162397704) is not available.
What is the SMILES notation for CID 162397704?
The canonical SMILES for CID 162397704 is CCOC(=O)C1(C(=O)OCC)CC(C)=C([C](C)C)C1.
What is the InChIKey of CID 162397704?
The InChIKey is LPRDOLYPEBKLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23O4/c1-6-18-13(16)15(14(17)19-7-2)8-11(5)12(9-15)10(3)4/h6-9H2,1-5H3.
What are the key properties of CID 162397704?
CID 162397704 has a molecular weight of 267.34 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162397704 is sourced from PubChem (CID 162397704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).