2-[(E)-hex-4-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C12H23BO2 — CID 90322736

IUPAC2-[(E)-hex-4-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC/C=C/CCCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C12H23BO2/c1-6-7-8-9-10-13-14-11(2,3)12(4,5)15-13/h6-7H,8-10H2,1-5H3/b7-6+
InChIKeyPJVCETQHKUYBSH-VOTSOKGWSA-N
MW210.13 g/mol
LogP3.43
Rot. Bonds4

About 2-[(E)-hex-4-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(E)-hex-4-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 90322736) has the molecular formula C12H23BO2 and a molecular weight of 210.13 g/mol. Its IUPAC name is 2-[(E)-hex-4-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(E)-hex-4-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID90322736
Molecular FormulaC12H23BO2
Molecular Weight210.13 g/mol
Exact Mass210.18
IUPAC Name2-[(E)-hex-4-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC/C=C/CCCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C12H23BO2/c1-6-7-8-9-10-13-14-11(2,3)12(4,5)15-13/h6-7H,8-10H2,1-5H3/b7-6+
InChIKeyPJVCETQHKUYBSH-VOTSOKGWSA-N
XLogP3.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.13
LogP ≤ 53.43
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-hex-4-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(E)-hex-4-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 90322736) is 2-[(E)-hex-4-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(E)-hex-4-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(E)-hex-4-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C/C=C/CCCB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-[(E)-hex-4-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is PJVCETQHKUYBSH-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H23BO2/c1-6-7-8-9-10-13-14-11(2,3)12(4,5)15-13/h6-7H,8-10H2,1-5H3/b7-6+.
What are the key properties of 2-[(E)-hex-4-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(E)-hex-4-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 210.13 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hex-4-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 90322736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).