CID 163366927

C25H37BO — CID 163366927

IUPAC—
SMILES[B]C1CCC(c2ccc(OCC3CCC(C4CCCCC4)CC3)cc2)CC1
InChIInChI=1S/C25H37BO/c26-24-14-10-22(11-15-24)23-12-16-25(17-13-23)27-18-19-6-8-21(9-7-19)20-4-2-1-3-5-20/h12-13,16-17,19-22,24H,1-11,14-15,18H2
InChIKeyBUOCGDMEZQDBQD-UHFFFAOYSA-N
MW364.38 g/mol
LogP7.07
Rot. Bonds5

About CID 163366927

CID 163366927 (PubChem CID 163366927) has the molecular formula C25H37BO and a molecular weight of 364.38 g/mol.

Molecular Properties

Compound NameCID 163366927
PubChem CID163366927
Molecular FormulaC25H37BO
Molecular Weight364.38 g/mol
Exact Mass364.29
IUPAC Name—
SMILES[B]C1CCC(c2ccc(OCC3CCC(C4CCCCC4)CC3)cc2)CC1
InChIInChI=1S/C25H37BO/c26-24-14-10-22(11-15-24)23-12-16-25(17-13-23)27-18-19-6-8-21(9-7-19)20-4-2-1-3-5-20/h12-13,16-17,19-22,24H,1-11,14-15,18H2
InChIKeyBUOCGDMEZQDBQD-UHFFFAOYSA-N
XLogP7.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.38
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-(chloromethoxy)-4-cyclohexylbenzene
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4-[4-(cyclohexylmethoxy)phenyl]cyclohexene-1-carbonitrile
CID 142043979
1-bromo-4-(4-cyclohexylcyclohexyl)benzene
CID 57247187
cyclohexylmethoxybenzene
CID 14399287
1-[4-(cyclohexylmethoxy)phenyl]thiolan-1-ium
CID 59524606
1-ethoxy-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
CID 18605125
1-(4-cyclohexylcyclohexyl)-4-methylbenzene;ethane
CID 91432939
1-(cyclohexylmethoxy)-4-ethylbenzene
CID 58865018
1-cyclohexyl-4-(2-phenoxyethoxy)benzene
CID 14047825

Frequently Asked Questions

What is the IUPAC name of CID 163366927?
The IUPAC name of CID 163366927 (CID 163366927) is not available.
What is the SMILES notation for CID 163366927?
The canonical SMILES for CID 163366927 is [B]C1CCC(c2ccc(OCC3CCC(C4CCCCC4)CC3)cc2)CC1.
What is the InChIKey of CID 163366927?
The InChIKey is BUOCGDMEZQDBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37BO/c26-24-14-10-22(11-15-24)23-12-16-25(17-13-23)27-18-19-6-8-21(9-7-19)20-4-2-1-3-5-20/h12-13,16-17,19-22,24H,1-11,14-15,18H2.
What are the key properties of CID 163366927?
CID 163366927 has a molecular weight of 364.38 g/mol, XLogP of 7.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163366927 is sourced from PubChem (CID 163366927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).