2-(cyclohepten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C13H23BO2 — CID 15486609

IUPAC2-(cyclohepten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2=CCCCCC2)OC1(C)C
InChIInChI=1S/C13H23BO2/c1-12(2)13(3,4)16-14(15-12)11-9-7-5-6-8-10-11/h9H,5-8,10H2,1-4H3
InChIKeyXCKJXFSLFZYWSB-UHFFFAOYSA-N
MW222.14 g/mol
LogP3.51
Rot. Bonds1

About 2-(cyclohepten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(cyclohepten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 15486609) has the molecular formula C13H23BO2 and a molecular weight of 222.14 g/mol. Its IUPAC name is 2-(cyclohepten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(cyclohepten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID15486609
Molecular FormulaC13H23BO2
Molecular Weight222.14 g/mol
Exact Mass222.18
IUPAC Name2-(cyclohepten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2=CCCCCC2)OC1(C)C
InChIInChI=1S/C13H23BO2/c1-12(2)13(3,4)16-14(15-12)11-9-7-5-6-8-10-11/h9H,5-8,10H2,1-4H3
InChIKeyXCKJXFSLFZYWSB-UHFFFAOYSA-N
XLogP3.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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

2-(cyclohexen-1-yl)-4-ethyl-4,5,5-trimethyl-1,3,2-dioxaborolane
CID 89442592
(11Z)-11-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,8-dioxacyclotetradec-11-ene-2,7-dione
CID 140735206
2-[4-(cyclohepten-1-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 155629884
3-[(1Z)-cyclononen-1-yl]-5,9,9-trimethyl-2,4-dioxa-3-boratricyclo[6.1.1.01,5]decane
CID 141481578
4,4,5,5-tetramethyl-2-(1-oxaspiro[5.5]undec-9-en-9-yl)-1,3,2-dioxaborolane
CID 140813860
4,4,5,5-tetramethyl-2-[(4S)-4-methylcyclohexen-1-yl]-1,3,2-dioxaborolane
CID 99773842
2-cyclohexa-1,3-dien-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 70807512
2-[6-(cyclohexen-1-yl)-2,3-dimethylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 46703412
2-[4-(cyclopenten-1-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 155629885
2-[1-(cyclohexen-1-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 166439529
1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-ol
CID 142308201
2-(1,1-dimethyl-2-oxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90456155

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohepten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(cyclohepten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 15486609) is 2-(cyclohepten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(cyclohepten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(cyclohepten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(C2=CCCCCC2)OC1(C)C.
What is the InChIKey of 2-(cyclohepten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is XCKJXFSLFZYWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BO2/c1-12(2)13(3,4)16-14(15-12)11-9-7-5-6-8-10-11/h9H,5-8,10H2,1-4H3.
What are the key properties of 2-(cyclohepten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(cyclohepten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 222.14 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohepten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 15486609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).