2-[(1Z)-cycloocten-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C14H25BO2 — CID 46179848

IUPAC2-[(1Z)-cycloocten-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(/C2=C/CCCCCC2)OC1(C)C
InChIInChI=1S/C14H25BO2/c1-13(2)14(3,4)17-15(16-13)12-10-8-6-5-7-9-11-12/h10H,5-9,11H2,1-4H3/b12-10+
InChIKeyBIQJRRXWPUZKCQ-ZRDIBKRKSA-N
MW236.16 g/mol
LogP3.90
Rot. Bonds1

About 2-[(1Z)-cycloocten-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(1Z)-cycloocten-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 46179848) has the molecular formula C14H25BO2 and a molecular weight of 236.16 g/mol. Its IUPAC name is 2-[(1Z)-cycloocten-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(1Z)-cycloocten-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID46179848
Molecular FormulaC14H25BO2
Molecular Weight236.16 g/mol
Exact Mass236.19
IUPAC Name2-[(1Z)-cycloocten-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(/C2=C/CCCCCC2)OC1(C)C
InChIInChI=1S/C14H25BO2/c1-13(2)14(3,4)17-15(16-13)12-10-8-6-5-7-9-11-12/h10H,5-9,11H2,1-4H3/b12-10+
InChIKeyBIQJRRXWPUZKCQ-ZRDIBKRKSA-N
XLogP3.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.16
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1Z)-cycloocten-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(1Z)-cycloocten-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 46179848) is 2-[(1Z)-cycloocten-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(1Z)-cycloocten-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(1Z)-cycloocten-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(/C2=C/CCCCCC2)OC1(C)C.
What is the InChIKey of 2-[(1Z)-cycloocten-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is BIQJRRXWPUZKCQ-ZRDIBKRKSA-N. The full InChI is InChI=1S/C14H25BO2/c1-13(2)14(3,4)17-15(16-13)12-10-8-6-5-7-9-11-12/h10H,5-9,11H2,1-4H3/b12-10+.
What are the key properties of 2-[(1Z)-cycloocten-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(1Z)-cycloocten-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 236.16 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1Z)-cycloocten-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 46179848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).