[4-(4-methylcyclohexyl)cyclohexen-1-yl]boronic acid

C13H23BO2 — CID 145005860

IUPAC[4-(4-methylcyclohexyl)cyclohexen-1-yl]boronic acid
SMILESCC1CCC(C2CC=C(B(O)O)CC2)CC1
InChIInChI=1S/C13H23BO2/c1-10-2-4-11(5-3-10)12-6-8-13(9-7-12)14(15)16/h8,10-12,15-16H,2-7,9H2,1H3
InChIKeyRXDFDULLUIRSCA-UHFFFAOYSA-N
MW222.14 g/mol
LogP2.55
Rot. Bonds2

About [4-(4-methylcyclohexyl)cyclohexen-1-yl]boronic acid

[4-(4-methylcyclohexyl)cyclohexen-1-yl]boronic acid (PubChem CID 145005860) has the molecular formula C13H23BO2 and a molecular weight of 222.14 g/mol. Its IUPAC name is [4-(4-methylcyclohexyl)cyclohexen-1-yl]boronic acid.

Molecular Properties

Compound Name[4-(4-methylcyclohexyl)cyclohexen-1-yl]boronic acid
PubChem CID145005860
Molecular FormulaC13H23BO2
Molecular Weight222.14 g/mol
Exact Mass222.18
IUPAC Name[4-(4-methylcyclohexyl)cyclohexen-1-yl]boronic acid
SMILESCC1CCC(C2CC=C(B(O)O)CC2)CC1
InChIInChI=1S/C13H23BO2/c1-10-2-4-11(5-3-10)12-6-8-13(9-7-12)14(15)16/h8,10-12,15-16H,2-7,9H2,1H3
InChIKeyRXDFDULLUIRSCA-UHFFFAOYSA-N
XLogP2.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.14
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methylcyclohexyl)cyclohexen-1-ol
CID 145005896
1-ethyl-4-(4-methylcyclohexyl)cyclohexene
CID 148827626
tetrakis(1,4-bis(4-methylcyclohexyl)cyclohexane);pentakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexene;molecular hydrogen;dodecahydrate
CID 161058057
[(4R)-4-hydroxycyclohexen-1-yl]boronic acid
CID 124635727
2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]cyclohexan-1-ol;ethane
CID 144631307
(4-cyanocyclohexen-1-yl)boronic acid
CID 119084932
4-(4-methylcyclohexyl)-1-(5-methylhexan-2-yl)cyclohexene
CID 153333927
3,4-difluoro-5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]hexan-2-ol;ethane
CID 142421435
1-(3-fluoro-4-methylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexene
CID 177321446
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;hydrate
CID 169431622
6-methyl-3-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-pyran
CID 118583459
2-(difluoromethyl)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]benzene
CID 126556663

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylcyclohexyl)cyclohexen-1-yl]boronic acid?
The IUPAC name of [4-(4-methylcyclohexyl)cyclohexen-1-yl]boronic acid (CID 145005860) is [4-(4-methylcyclohexyl)cyclohexen-1-yl]boronic acid.
What is the SMILES notation for [4-(4-methylcyclohexyl)cyclohexen-1-yl]boronic acid?
The canonical SMILES for [4-(4-methylcyclohexyl)cyclohexen-1-yl]boronic acid is CC1CCC(C2CC=C(B(O)O)CC2)CC1.
What is the InChIKey of [4-(4-methylcyclohexyl)cyclohexen-1-yl]boronic acid?
The InChIKey is RXDFDULLUIRSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BO2/c1-10-2-4-11(5-3-10)12-6-8-13(9-7-12)14(15)16/h8,10-12,15-16H,2-7,9H2,1H3.
What are the key properties of [4-(4-methylcyclohexyl)cyclohexen-1-yl]boronic acid?
[4-(4-methylcyclohexyl)cyclohexen-1-yl]boronic acid has a molecular weight of 222.14 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylcyclohexyl)cyclohexen-1-yl]boronic acid is sourced from PubChem (CID 145005860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).