2-[(E)-2-(3-ethylcyclohexyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C16H29BO2 — CID 165471037

IUPAC2-[(E)-2-(3-ethylcyclohexyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCC1CCCC(/C=C/B2OC(C)(C)C(C)(C)O2)C1
InChIInChI=1S/C16H29BO2/c1-6-13-8-7-9-14(12-13)10-11-17-18-15(2,3)16(4,5)19-17/h10-11,13-14H,6-9,12H2,1-5H3/b11-10+
InChIKeyXQRZLXLTYFTKTM-ZHACJKMWSA-N
MW264.22 g/mol
LogP4.39
Rot. Bonds3

About 2-[(E)-2-(3-ethylcyclohexyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(E)-2-(3-ethylcyclohexyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 165471037) has the molecular formula C16H29BO2 and a molecular weight of 264.22 g/mol. Its IUPAC name is 2-[(E)-2-(3-ethylcyclohexyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(E)-2-(3-ethylcyclohexyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID165471037
Molecular FormulaC16H29BO2
Molecular Weight264.22 g/mol
Exact Mass264.23
IUPAC Name2-[(E)-2-(3-ethylcyclohexyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCC1CCCC(/C=C/B2OC(C)(C)C(C)(C)O2)C1
InChIInChI=1S/C16H29BO2/c1-6-13-8-7-9-14(12-13)10-11-17-18-15(2,3)16(4,5)19-17/h10-11,13-14H,6-9,12H2,1-5H3/b11-10+
InChIKeyXQRZLXLTYFTKTM-ZHACJKMWSA-N
XLogP4.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 54.39
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-[(E)-2-(3-ethylcyclohexyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(E)-2-(3-ethylcyclohexyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 165471037) is 2-[(E)-2-(3-ethylcyclohexyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(E)-2-(3-ethylcyclohexyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(E)-2-(3-ethylcyclohexyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCC1CCCC(/C=C/B2OC(C)(C)C(C)(C)O2)C1.
What is the InChIKey of 2-[(E)-2-(3-ethylcyclohexyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is XQRZLXLTYFTKTM-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H29BO2/c1-6-13-8-7-9-14(12-13)10-11-17-18-15(2,3)16(4,5)19-17/h10-11,13-14H,6-9,12H2,1-5H3/b11-10+.
What are the key properties of 2-[(E)-2-(3-ethylcyclohexyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(E)-2-(3-ethylcyclohexyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 264.22 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3-ethylcyclohexyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 165471037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).