4,5-bis(prop-2-enyl)-1,3,5-dioxaborinane

C9H15BO2 — CID 66667932

IUPAC4,5-bis(prop-2-enyl)-1,3,5-dioxaborinane
SMILESC=CCB1COCOC1CC=C
InChIInChI=1S/C9H15BO2/c1-3-5-9-10(6-4-2)7-11-8-12-9/h3-4,9H,1-2,5-8H2
InChIKeyRLDYLFNHAXHWBU-UHFFFAOYSA-N
MW166.03 g/mol
LogP1.69
Rot. Bonds4

About 4,5-bis(prop-2-enyl)-1,3,5-dioxaborinane

4,5-bis(prop-2-enyl)-1,3,5-dioxaborinane (PubChem CID 66667932) has the molecular formula C9H15BO2 and a molecular weight of 166.03 g/mol. Its IUPAC name is 4,5-bis(prop-2-enyl)-1,3,5-dioxaborinane.

Molecular Properties

Compound Name4,5-bis(prop-2-enyl)-1,3,5-dioxaborinane
PubChem CID66667932
Molecular FormulaC9H15BO2
Molecular Weight166.03 g/mol
Exact Mass166.12
IUPAC Name4,5-bis(prop-2-enyl)-1,3,5-dioxaborinane
SMILESC=CCB1COCOC1CC=C
InChIInChI=1S/C9H15BO2/c1-3-5-9-10(6-4-2)7-11-8-12-9/h3-4,9H,1-2,5-8H2
InChIKeyRLDYLFNHAXHWBU-UHFFFAOYSA-N
XLogP1.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.03
LogP ≤ 51.69
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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Related Compounds

1,2,4,5-tetramethyl-3-prop-2-enylcyclohexane
CID 142247047
2-prop-2-enyl-(213C)1,3-dioxolane
CID 173279538
2-prop-2-enyl-1,3,2-dioxaborolane
CID 12566599
2,4,6-tris(prop-2-enyl)-1,3,5,2,4,6-trioxatriborinane
CID 68763773
3-prop-2-enyloxolane
CID 22481091
(3S,4R)-4-prop-2-enyloxolan-3-amine
CID 124660513
(3-prop-2-enyloxetan-2-yl)methanol
CID 69422031
3-chloro-2-prop-2-enyloxolane
CID 13494562
2-prop-2-enyl-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 73196942
2-prop-2-enylaziridine
CID 90730816
2-prop-2-enylmorpholine
CID 20536842
3-prop-2-enyl-(313C)1,4-oxazinane
CID 173137376

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(prop-2-enyl)-1,3,5-dioxaborinane?
The IUPAC name of 4,5-bis(prop-2-enyl)-1,3,5-dioxaborinane (CID 66667932) is 4,5-bis(prop-2-enyl)-1,3,5-dioxaborinane.
What is the SMILES notation for 4,5-bis(prop-2-enyl)-1,3,5-dioxaborinane?
The canonical SMILES for 4,5-bis(prop-2-enyl)-1,3,5-dioxaborinane is C=CCB1COCOC1CC=C.
What is the InChIKey of 4,5-bis(prop-2-enyl)-1,3,5-dioxaborinane?
The InChIKey is RLDYLFNHAXHWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BO2/c1-3-5-9-10(6-4-2)7-11-8-12-9/h3-4,9H,1-2,5-8H2.
What are the key properties of 4,5-bis(prop-2-enyl)-1,3,5-dioxaborinane?
4,5-bis(prop-2-enyl)-1,3,5-dioxaborinane has a molecular weight of 166.03 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(prop-2-enyl)-1,3,5-dioxaborinane is sourced from PubChem (CID 66667932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).