CID 142199656

C24H32O5 — CID 142199656

IUPAC—
SMILESCC1CC2CC(C)C3(OOC4(CCC(OC(=O)c5ccccc5)CC4)O3)C(C1)C2
InChIInChI=1S/C24H32O5/c1-16-12-18-14-17(2)24(20(13-16)15-18)27-23(28-29-24)10-8-21(9-11-23)26-22(25)19-6-4-3-5-7-19/h3-7,16-18,20-21H,8-15H2,1-2H3
InChIKeyQEMHAEJAPAUMGS-UHFFFAOYSA-N
MW400.52 g/mol
LogP5.25
Rot. Bonds2

About CID 142199656

CID 142199656 (PubChem CID 142199656) has the molecular formula C24H32O5 and a molecular weight of 400.52 g/mol.

Molecular Properties

Compound NameCID 142199656
PubChem CID142199656
Molecular FormulaC24H32O5
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name—
SMILESCC1CC2CC(C)C3(OOC4(CCC(OC(=O)c5ccccc5)CC4)O3)C(C1)C2
InChIInChI=1S/C24H32O5/c1-16-12-18-14-17(2)24(20(13-16)15-18)27-23(28-29-24)10-8-21(9-11-23)26-22(25)19-6-4-3-5-7-19/h3-7,16-18,20-21H,8-15H2,1-2H3
InChIKeyQEMHAEJAPAUMGS-UHFFFAOYSA-N
XLogP5.25
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

CID 143649805
CID 143649805
(3,5-dimethylcyclohexyl) benzoate
CID 15157091
(4-hydroxy-4-methylcyclohexyl) benzoate
CID 13082683
CID 11328195
CID 11328195
(4-methoxycyclohexyl) benzoate
CID 101493670
CID 87292126
CID 87292126
CID 101351627
CID 101351627
[(2S,4aS,7S)-7-hydroxy-4a-methyl-2,3,4,7,8,8a-hexahydro-1H-naphthalen-2-yl] benzoate
CID 11312202
3-(4,4-dimethylcyclohexyl)oxycarbonylbenzoic acid
CID 139774973
(4-hydroxy-3,3,5-trimethylcyclohexyl) benzoate
CID 70364620
CID 163949530
CID 163949530
[(1R,3S)-4,4-difluoro-3-methoxycyclohexyl] benzoate
CID 168761875

Frequently Asked Questions

What is the IUPAC name of CID 142199656?
The IUPAC name of CID 142199656 (CID 142199656) is not available.
What is the SMILES notation for CID 142199656?
The canonical SMILES for CID 142199656 is CC1CC2CC(C)C3(OOC4(CCC(OC(=O)c5ccccc5)CC4)O3)C(C1)C2.
What is the InChIKey of CID 142199656?
The InChIKey is QEMHAEJAPAUMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O5/c1-16-12-18-14-17(2)24(20(13-16)15-18)27-23(28-29-24)10-8-21(9-11-23)26-22(25)19-6-4-3-5-7-19/h3-7,16-18,20-21H,8-15H2,1-2H3.
What are the key properties of CID 142199656?
CID 142199656 has a molecular weight of 400.52 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142199656 is sourced from PubChem (CID 142199656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).