[4-(5-propyloxan-2-yl)cyclohexyl]boronic acid

C14H27BO3 — CID 140501060

IUPAC[4-(5-propyloxan-2-yl)cyclohexyl]boronic acid
SMILESCCCC1CCC(C2CCC(B(O)O)CC2)OC1
InChIInChI=1S/C14H27BO3/c1-2-3-11-4-9-14(18-10-11)12-5-7-13(8-6-12)15(16)17/h11-14,16-17H,2-10H2,1H3
InChIKeyGOPORHFIFOOJME-UHFFFAOYSA-N
MW254.18 g/mol
LogP2.61
Rot. Bonds4

About [4-(5-propyloxan-2-yl)cyclohexyl]boronic acid

[4-(5-propyloxan-2-yl)cyclohexyl]boronic acid (PubChem CID 140501060) has the molecular formula C14H27BO3 and a molecular weight of 254.18 g/mol. Its IUPAC name is [4-(5-propyloxan-2-yl)cyclohexyl]boronic acid.

Molecular Properties

Compound Name[4-(5-propyloxan-2-yl)cyclohexyl]boronic acid
PubChem CID140501060
Molecular FormulaC14H27BO3
Molecular Weight254.18 g/mol
Exact Mass254.21
IUPAC Name[4-(5-propyloxan-2-yl)cyclohexyl]boronic acid
SMILESCCCC1CCC(C2CCC(B(O)O)CC2)OC1
InChIInChI=1S/C14H27BO3/c1-2-3-11-4-9-14(18-10-11)12-5-7-13(8-6-12)15(16)17/h11-14,16-17H,2-10H2,1H3
InChIKeyGOPORHFIFOOJME-UHFFFAOYSA-N
XLogP2.61
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.18
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,5S)-5-propyl-2-[4-(trifluoromethyl)cyclohexyl]oxane
CID 102407968
2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-propyloxane
CID 20599558
2-(4-methoxycyclohexyl)-5-[2-(4-propylcyclohexyl)ethyl]oxane
CID 58620720
[4-[2-[4-(5-propyloxan-2-yl)cyclohexyl]ethyl]phenyl]methanol
CID 70829402
[4-[5-[(E)-2-(4-propylcyclohexyl)ethenyl]oxan-2-yl]cyclohexyl]methanol
CID 70829400
5-[2-(4-ethylcyclohexyl)ethenyl]-2-(4-propylcyclohexyl)oxane
CID 76840358
2,5-dipropyloxane
CID 118909754
6-propyl-3-(5-propyloxan-2-yl)-3,4-dihydro-2H-pyran
CID 118583674
5-ethoxy-2-(4-pentylcyclohexyl)oxane
CID 58620552
5-[4-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]butyl]-2-(4-ethylcyclohexyl)oxane
CID 20599964
2-[4-[4-[3,5-difluoro-4-(oxiran-2-yl)phenyl]phenyl]cyclohexyl]-5-propyloxane
CID 90179616
2-(4-methylcyclohexyl)-5-[2-(4-methylphenyl)ethyl]oxane
CID 143210127

Frequently Asked Questions

What is the IUPAC name of [4-(5-propyloxan-2-yl)cyclohexyl]boronic acid?
The IUPAC name of [4-(5-propyloxan-2-yl)cyclohexyl]boronic acid (CID 140501060) is [4-(5-propyloxan-2-yl)cyclohexyl]boronic acid.
What is the SMILES notation for [4-(5-propyloxan-2-yl)cyclohexyl]boronic acid?
The canonical SMILES for [4-(5-propyloxan-2-yl)cyclohexyl]boronic acid is CCCC1CCC(C2CCC(B(O)O)CC2)OC1.
What is the InChIKey of [4-(5-propyloxan-2-yl)cyclohexyl]boronic acid?
The InChIKey is GOPORHFIFOOJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27BO3/c1-2-3-11-4-9-14(18-10-11)12-5-7-13(8-6-12)15(16)17/h11-14,16-17H,2-10H2,1H3.
What are the key properties of [4-(5-propyloxan-2-yl)cyclohexyl]boronic acid?
[4-(5-propyloxan-2-yl)cyclohexyl]boronic acid has a molecular weight of 254.18 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-propyloxan-2-yl)cyclohexyl]boronic acid is sourced from PubChem (CID 140501060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).