CID 102586283

C23H25O2 — CID 102586283

IUPAC—
SMILESCCOC([O])=C(C)C1CC1C1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H25O2/c1-3-25-22(24)16(2)19-14-20(19)21-15-23(21,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19-21H,3,14-15H2,1-2H3
InChIKeyVCYQSSJQRZWHPX-UHFFFAOYSA-N
MW333.45 g/mol
LogP5.33
Rot. Bonds6

About CID 102586283

CID 102586283 (PubChem CID 102586283) has the molecular formula C23H25O2 and a molecular weight of 333.45 g/mol.

Molecular Properties

Compound NameCID 102586283
PubChem CID102586283
Molecular FormulaC23H25O2
Molecular Weight333.45 g/mol
Exact Mass333.19
IUPAC Name—
SMILESCCOC([O])=C(C)C1CC1C1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H25O2/c1-3-25-22(24)16(2)19-14-20(19)21-15-23(21,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19-21H,3,14-15H2,1-2H3
InChIKeyVCYQSSJQRZWHPX-UHFFFAOYSA-N
XLogP5.33
TPSA29.13 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.45
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

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ethyl (E)-3-[(1R)-2,2-diphenylcyclopropyl]prop-2-enoate
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ethyl 2-ethyl-1-phenylcyclopropane-1-carboxylate
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cis-ethyl (1R,2S)-2-acetyl-2-phenylcyclopropane-1-carboxylate
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cis-ethyl (1R,2S)-2-carbamoyl-2-phenylcyclopropane-1-carboxylate
CID 121371274
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CID 101241030
cis-ethyl (1R,2R)-2-fluoro-2-phenylcyclopropane-1-carboxylate;methane
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Frequently Asked Questions

What is the IUPAC name of CID 102586283?
The IUPAC name of CID 102586283 (CID 102586283) is not available.
What is the SMILES notation for CID 102586283?
The canonical SMILES for CID 102586283 is CCOC([O])=C(C)C1CC1C1CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 102586283?
The InChIKey is VCYQSSJQRZWHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25O2/c1-3-25-22(24)16(2)19-14-20(19)21-15-23(21,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19-21H,3,14-15H2,1-2H3.
What are the key properties of CID 102586283?
CID 102586283 has a molecular weight of 333.45 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102586283 is sourced from PubChem (CID 102586283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).