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

C16H31BO2 — CID 102231868

IUPAC2-[(Z)-dec-5-en-5-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCC/C=C(\CCCC)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H31BO2/c1-7-9-11-13-14(12-10-8-2)17-18-15(3,4)16(5,6)19-17/h13H,7-12H2,1-6H3/b14-13+
InChIKeyPIHDLJDXUHHYDJ-BUHFOSPRSA-N
MW266.23 g/mol
LogP4.92
Rot. Bonds7

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

2-[(Z)-dec-5-en-5-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 102231868) has the molecular formula C16H31BO2 and a molecular weight of 266.23 g/mol. Its IUPAC name is 2-[(Z)-dec-5-en-5-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(Z)-dec-5-en-5-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID102231868
Molecular FormulaC16H31BO2
Molecular Weight266.23 g/mol
Exact Mass266.24
IUPAC Name2-[(Z)-dec-5-en-5-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCC/C=C(\CCCC)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H31BO2/c1-7-9-11-13-14(12-10-8-2)17-18-15(3,4)16(5,6)19-17/h13H,7-12H2,1-6H3/b14-13+
InChIKeyPIHDLJDXUHHYDJ-BUHFOSPRSA-N
XLogP4.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-dec-5-en-5-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(Z)-dec-5-en-5-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 102231868) is 2-[(Z)-dec-5-en-5-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(Z)-dec-5-en-5-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(Z)-dec-5-en-5-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCCC/C=C(\CCCC)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-[(Z)-dec-5-en-5-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is PIHDLJDXUHHYDJ-BUHFOSPRSA-N. The full InChI is InChI=1S/C16H31BO2/c1-7-9-11-13-14(12-10-8-2)17-18-15(3,4)16(5,6)19-17/h13H,7-12H2,1-6H3/b14-13+.
What are the key properties of 2-[(Z)-dec-5-en-5-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(Z)-dec-5-en-5-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 266.23 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-dec-5-en-5-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 102231868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).