2-[(E)-pent-1-enyl]-1,3,2-dioxaborolane

C7H13BO2 — CID 15399724

IUPAC2-[(E)-pent-1-enyl]-1,3,2-dioxaborolane
SMILESCCC/C=C/B1OCCO1
InChIInChI=1S/C7H13BO2/c1-2-3-4-5-8-9-6-7-10-8/h4-5H,2-3,6-7H2,1H3/b5-4+
InChIKeyYMKMEKMOMXYQNH-SNAWJCMRSA-N
MW139.99 g/mol
LogP1.42
Rot. Bonds3

About 2-[(E)-pent-1-enyl]-1,3,2-dioxaborolane

2-[(E)-pent-1-enyl]-1,3,2-dioxaborolane (PubChem CID 15399724) has the molecular formula C7H13BO2 and a molecular weight of 139.99 g/mol. Its IUPAC name is 2-[(E)-pent-1-enyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(E)-pent-1-enyl]-1,3,2-dioxaborolane
PubChem CID15399724
Molecular FormulaC7H13BO2
Molecular Weight139.99 g/mol
Exact Mass140.10
IUPAC Name2-[(E)-pent-1-enyl]-1,3,2-dioxaborolane
SMILESCCC/C=C/B1OCCO1
InChIInChI=1S/C7H13BO2/c1-2-3-4-5-8-9-6-7-10-8/h4-5H,2-3,6-7H2,1H3/b5-4+
InChIKeyYMKMEKMOMXYQNH-SNAWJCMRSA-N
XLogP1.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.99
LogP ≤ 51.42
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)-pent-1-enyl]-1,3,2-dioxaborolane?
The IUPAC name of 2-[(E)-pent-1-enyl]-1,3,2-dioxaborolane (CID 15399724) is 2-[(E)-pent-1-enyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(E)-pent-1-enyl]-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(E)-pent-1-enyl]-1,3,2-dioxaborolane is CCC/C=C/B1OCCO1.
What is the InChIKey of 2-[(E)-pent-1-enyl]-1,3,2-dioxaborolane?
The InChIKey is YMKMEKMOMXYQNH-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H13BO2/c1-2-3-4-5-8-9-6-7-10-8/h4-5H,2-3,6-7H2,1H3/b5-4+.
What are the key properties of 2-[(E)-pent-1-enyl]-1,3,2-dioxaborolane?
2-[(E)-pent-1-enyl]-1,3,2-dioxaborolane has a molecular weight of 139.99 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-pent-1-enyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 15399724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).