2-(cyclohexen-1-yl)-4-ethyl-4,5,5-trimethyl-1,3,2-dioxaborolane

C13H23BO2 — CID 89442592

IUPAC2-(cyclohexen-1-yl)-4-ethyl-4,5,5-trimethyl-1,3,2-dioxaborolane
SMILESCCC1(C)OB(C2=CCCCC2)OC1(C)C
InChIInChI=1S/C13H23BO2/c1-5-13(4)12(2,3)15-14(16-13)11-9-7-6-8-10-11/h9H,5-8,10H2,1-4H3
InChIKeyQACNLSWHYNYFJS-UHFFFAOYSA-N
MW222.14 g/mol
LogP3.51
Rot. Bonds2

About 2-(cyclohexen-1-yl)-4-ethyl-4,5,5-trimethyl-1,3,2-dioxaborolane

2-(cyclohexen-1-yl)-4-ethyl-4,5,5-trimethyl-1,3,2-dioxaborolane (PubChem CID 89442592) has the molecular formula C13H23BO2 and a molecular weight of 222.14 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-4-ethyl-4,5,5-trimethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-4-ethyl-4,5,5-trimethyl-1,3,2-dioxaborolane
PubChem CID89442592
Molecular FormulaC13H23BO2
Molecular Weight222.14 g/mol
Exact Mass222.18
IUPAC Name2-(cyclohexen-1-yl)-4-ethyl-4,5,5-trimethyl-1,3,2-dioxaborolane
SMILESCCC1(C)OB(C2=CCCCC2)OC1(C)C
InChIInChI=1S/C13H23BO2/c1-5-13(4)12(2,3)15-14(16-13)11-9-7-6-8-10-11/h9H,5-8,10H2,1-4H3
InChIKeyQACNLSWHYNYFJS-UHFFFAOYSA-N
XLogP3.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.14
LogP ≤ 53.51
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

CID 15486611
CID 15486611
CID 10932675
CID 10932675
CID 15486609
CID 15486609
CID 58924635
CID 58924635
CID 11565340
CID 11565340
CID 15486605
CID 15486605
CID 23142013
CID 23142013
CID 23142541
CID 23142541
CID 59351393
CID 59351393
CID 59351432
CID 59351432
CID 72221108
CID 72221108
CID 74788596
CID 74788596

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-4-ethyl-4,5,5-trimethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(cyclohexen-1-yl)-4-ethyl-4,5,5-trimethyl-1,3,2-dioxaborolane (CID 89442592) is 2-(cyclohexen-1-yl)-4-ethyl-4,5,5-trimethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(cyclohexen-1-yl)-4-ethyl-4,5,5-trimethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(cyclohexen-1-yl)-4-ethyl-4,5,5-trimethyl-1,3,2-dioxaborolane is CCC1(C)OB(C2=CCCCC2)OC1(C)C.
What is the InChIKey of 2-(cyclohexen-1-yl)-4-ethyl-4,5,5-trimethyl-1,3,2-dioxaborolane?
The InChIKey is QACNLSWHYNYFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BO2/c1-5-13(4)12(2,3)15-14(16-13)11-9-7-6-8-10-11/h9H,5-8,10H2,1-4H3.
What are the key properties of 2-(cyclohexen-1-yl)-4-ethyl-4,5,5-trimethyl-1,3,2-dioxaborolane?
2-(cyclohexen-1-yl)-4-ethyl-4,5,5-trimethyl-1,3,2-dioxaborolane has a molecular weight of 222.14 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-4-ethyl-4,5,5-trimethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 89442592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).