CID 59881533

C23H39O2 — CID 59881533

IUPAC—
SMILESC[C]1C(C)CC(OC(=O)C2CCC(C3CCC(C)CC3)CC2)CC1C
InChIInChI=1S/C23H39O2/c1-15-5-7-19(8-6-15)20-9-11-21(12-10-20)23(24)25-22-13-16(2)18(4)17(3)14-22/h15-17,19-22H,5-14H2,1-4H3
InChIKeyADUAYPJBHXMPJE-UHFFFAOYSA-N
MW347.56 g/mol
LogP6.19
Rot. Bonds3

About CID 59881533

CID 59881533 (PubChem CID 59881533) has the molecular formula C23H39O2 and a molecular weight of 347.56 g/mol.

Molecular Properties

Compound NameCID 59881533
PubChem CID59881533
Molecular FormulaC23H39O2
Molecular Weight347.56 g/mol
Exact Mass347.30
IUPAC Name—
SMILESC[C]1C(C)CC(OC(=O)C2CCC(C3CCC(C)CC3)CC2)CC1C
InChIInChI=1S/C23H39O2/c1-15-5-7-19(8-6-15)20-9-11-21(12-10-20)23(24)25-22-13-16(2)18(4)17(3)14-22/h15-17,19-22H,5-14H2,1-4H3
InChIKeyADUAYPJBHXMPJE-UHFFFAOYSA-N
XLogP6.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.56
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl] 4-methylcyclohexane-1-carboxylate
CID 20730861
(3,4,5-trimethylcyclohexyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate
CID 59929179
(4-methylcyclohexyl) 4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexane-1-carboxylate
CID 59938787
methyl 4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane-1-carboxylate
CID 54244189
[2-(4-methylcyclohexyl)-1,3-dioxan-5-yl] 4-methylcyclohexane-1-carboxylate
CID 21359941
(4-methylcyclohexyl) 4-methylcyclohexane-1-carboxylate;(4-methylcyclohexyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane
CID 159023786
(4-methylcyclohexyl) 4-(cyclohexanecarbonyloxy)cyclohexane-1-carboxylate
CID 58650724
[4-(4-methylcyclohexyl)cyclohexyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane;1-methyl-4-[4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]cyclohexane;molecular hydrogen
CID 159848305
[4-[4-(4-methylcyclohexanecarbonyl)oxycyclohexyl]cyclohexyl] 4-(methoxymethyl)cycloheptane-1-carboxylate
CID 144611952
(3,5-dimethylcyclohexyl) 4-aminocyclohexane-1-carboxylate
CID 64731838
cyclopropyl cyclopropanecarboxylate
CID 54407874
[(1R)-3,4,5-trifluorocyclohexa-2,4-dien-1-yl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate
CID 134568806

Frequently Asked Questions

What is the IUPAC name of CID 59881533?
The IUPAC name of CID 59881533 (CID 59881533) is not available.
What is the SMILES notation for CID 59881533?
The canonical SMILES for CID 59881533 is C[C]1C(C)CC(OC(=O)C2CCC(C3CCC(C)CC3)CC2)CC1C.
What is the InChIKey of CID 59881533?
The InChIKey is ADUAYPJBHXMPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39O2/c1-15-5-7-19(8-6-15)20-9-11-21(12-10-20)23(24)25-22-13-16(2)18(4)17(3)14-22/h15-17,19-22H,5-14H2,1-4H3.
What are the key properties of CID 59881533?
CID 59881533 has a molecular weight of 347.56 g/mol, XLogP of 6.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59881533 is sourced from PubChem (CID 59881533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).