CID 57473266

C12H18BO2 — CID 57473266

IUPAC—
SMILES[B](OC1=CCCCC1)OC1=CCCCC1
InChIInChI=1S/C12H18BO2/c1-3-7-11(8-4-1)14-13-15-12-9-5-2-6-10-12/h7,9H,1-6,8,10H2
InChIKeyONJLNAHSQQOLTG-UHFFFAOYSA-N
MW205.09 g/mol
LogP3.47
Rot. Bonds4

About CID 57473266

CID 57473266 (PubChem CID 57473266) has the molecular formula C12H18BO2 and a molecular weight of 205.09 g/mol.

Molecular Properties

Compound NameCID 57473266
PubChem CID57473266
Molecular FormulaC12H18BO2
Molecular Weight205.09 g/mol
Exact Mass205.14
IUPAC Name—
SMILES[B](OC1=CCCCC1)OC1=CCCCC1
InChIInChI=1S/C12H18BO2/c1-3-7-11(8-4-1)14-13-15-12-9-5-2-6-10-12/h7,9H,1-6,8,10H2
InChIKeyONJLNAHSQQOLTG-UHFFFAOYSA-N
XLogP3.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.09
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cyclohexenyl peroxide
CID 54070588
Borinic acid, diethyl-, 1-cyclohexen-1-yl ester
CID 86169622
Di(cyclohexen-1-yloxy)mercury
CID 134892080
Dibutyl(cyclohexen-1-yloxy)borane
CID 12737525
CID 67166180
CID 67166180
CID 67187022
CID 67187022
Dicyclohexen-1-yl sulfate
CID 88848052
CID 89746859
CID 89746859
Cyclohexen-1-yloxyboronic acid
CID 140545452
1-(Cyclohexen-1-yloxyperoxy)cyclohexene
CID 141475375
Cyclododecen-1-yloxyboronic acid
CID 153980375
Tricyclohexen-1-yl borate
CID 154181785

Frequently Asked Questions

What is the IUPAC name of CID 57473266?
The IUPAC name of CID 57473266 (CID 57473266) is not available.
What is the SMILES notation for CID 57473266?
The canonical SMILES for CID 57473266 is [B](OC1=CCCCC1)OC1=CCCCC1.
What is the InChIKey of CID 57473266?
The InChIKey is ONJLNAHSQQOLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BO2/c1-3-7-11(8-4-1)14-13-15-12-9-5-2-6-10-12/h7,9H,1-6,8,10H2.
What are the key properties of CID 57473266?
CID 57473266 has a molecular weight of 205.09 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57473266 is sourced from PubChem (CID 57473266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).