2-[(E,4R)-hept-2-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C13H25BO2 — CID 101473978

IUPAC2-[(E,4R)-hept-2-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC/C=C/[C@@H](CCC)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C13H25BO2/c1-7-9-11(10-8-2)14-15-12(3,4)13(5,6)16-14/h7,9,11H,8,10H2,1-6H3/b9-7+/t11-/m0/s1
InChIKeyWSRVPDQFADONIX-DJYGCBNOSA-N
MW224.15 g/mol
LogP3.83
Rot. Bonds4

About 2-[(E,4R)-hept-2-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(E,4R)-hept-2-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 101473978) has the molecular formula C13H25BO2 and a molecular weight of 224.15 g/mol. Its IUPAC name is 2-[(E,4R)-hept-2-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(E,4R)-hept-2-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID101473978
Molecular FormulaC13H25BO2
Molecular Weight224.15 g/mol
Exact Mass224.19
IUPAC Name2-[(E,4R)-hept-2-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC/C=C/[C@@H](CCC)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C13H25BO2/c1-7-9-11(10-8-2)14-15-12(3,4)13(5,6)16-14/h7,9,11H,8,10H2,1-6H3/b9-7+/t11-/m0/s1
InChIKeyWSRVPDQFADONIX-DJYGCBNOSA-N
XLogP3.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.15
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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,4R)-hept-2-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(E,4R)-hept-2-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 101473978) is 2-[(E,4R)-hept-2-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(E,4R)-hept-2-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(E,4R)-hept-2-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C/C=C/[C@@H](CCC)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-[(E,4R)-hept-2-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is WSRVPDQFADONIX-DJYGCBNOSA-N. The full InChI is InChI=1S/C13H25BO2/c1-7-9-11(10-8-2)14-15-12(3,4)13(5,6)16-14/h7,9,11H,8,10H2,1-6H3/b9-7+/t11-/m0/s1.
What are the key properties of 2-[(E,4R)-hept-2-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(E,4R)-hept-2-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 224.15 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E,4R)-hept-2-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 101473978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).