ethane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane

C13H29BO2 — CID 144582849

IUPACethane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane
SMILESC=C(C)B1OC(C)(C)C(C)(C)O1.CC.CC
InChIInChI=1S/C9H17BO2.2C2H6/c1-7(2)10-11-8(3,4)9(5,6)12-10;2*1-2/h1H2,2-6H3;2*1-2H3
InChIKeyFMZDKLBWYCCJON-UHFFFAOYSA-N
MW228.18 g/mol
LogP4.25
Rot. Bonds1

About ethane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane

ethane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane (PubChem CID 144582849) has the molecular formula C13H29BO2 and a molecular weight of 228.18 g/mol. Its IUPAC name is ethane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane.

Molecular Properties

Compound Nameethane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane
PubChem CID144582849
Molecular FormulaC13H29BO2
Molecular Weight228.18 g/mol
Exact Mass228.23
IUPAC Nameethane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane
SMILESC=C(C)B1OC(C)(C)C(C)(C)O1.CC.CC
InChIInChI=1S/C9H17BO2.2C2H6/c1-7(2)10-11-8(3,4)9(5,6)12-10;2*1-2/h1H2,2-6H3;2*1-2H3
InChIKeyFMZDKLBWYCCJON-UHFFFAOYSA-N
XLogP4.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 54.25
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 ethane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane?
The IUPAC name of ethane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane (CID 144582849) is ethane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane.
What is the SMILES notation for ethane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane?
The canonical SMILES for ethane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane is C=C(C)B1OC(C)(C)C(C)(C)O1.CC.CC.
What is the InChIKey of ethane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane?
The InChIKey is FMZDKLBWYCCJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BO2.2C2H6/c1-7(2)10-11-8(3,4)9(5,6)12-10;2*1-2/h1H2,2-6H3;2*1-2H3.
What are the key properties of ethane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane?
ethane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane has a molecular weight of 228.18 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane is sourced from PubChem (CID 144582849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).