4,4,5,5-tetramethyl-2-prop-2-enyl-1,3,2-dioxaborolane

C9H17BO2 — CID 2763171

IUPAC4,4,5,5-tetramethyl-2-prop-2-enyl-1,3,2-dioxaborolane
SMILESC=CCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C9H17BO2/c1-6-7-10-11-8(2,3)9(4,5)12-10/h6H,1,7H2,2-5H3
InChIKeyYMHIEPNFCBNQQU-UHFFFAOYSA-N
MW168.04 g/mol
LogP2.26
Rot. Bonds2

About 4,4,5,5-tetramethyl-2-prop-2-enyl-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-prop-2-enyl-1,3,2-dioxaborolane (PubChem CID 2763171) has the molecular formula C9H17BO2 and a molecular weight of 168.04 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-prop-2-enyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-prop-2-enyl-1,3,2-dioxaborolane
PubChem CID2763171
Molecular FormulaC9H17BO2
Molecular Weight168.04 g/mol
Exact Mass168.13
IUPAC Name4,4,5,5-tetramethyl-2-prop-2-enyl-1,3,2-dioxaborolane
SMILESC=CCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C9H17BO2/c1-6-7-10-11-8(2,3)9(4,5)12-10/h6H,1,7H2,2-5H3
InChIKeyYMHIEPNFCBNQQU-UHFFFAOYSA-N
XLogP2.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.04
LogP ≤ 52.26
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

(E)-2-(But-2-en-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 13267417
2-[(E)-hex-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11106616
2-[(1E)-3,3-Dimethyl-1-buten-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11769738
2-(3-Chloroprop-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11830500
4,4,5,5-Tetramethyl-2-[(1E)-pent-1-en-1-yl]-1,3,2-dioxaborolane
CID 15211560
2-Ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 5233012
4,4,5,5-Tetramethyl-2-(prop-1-en-2-yl)-1,3,2-dioxaborolane
CID 10997426
4,4,5,5-tetramethyl-2-[(1E)-prop-1-en-1-yl]-1,3,2-dioxaborolane
CID 11344214
(E)-2-(But-2-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11805368
(Z)-2-Buten-2-ylboronic acid pinacol ester
CID 13267416
4,4,5,5-Tetramethyl-2-(2-methylprop-1-en-1-yl)-1,3,2-dioxaborolane
CID 15148447
4,4,5,5-tetramethyl-2-((1E)-3-methylbut-1-en-1-yl)-1,3,2-dioxaborolane
CID 15206435

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-prop-2-enyl-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-prop-2-enyl-1,3,2-dioxaborolane (CID 2763171) is 4,4,5,5-tetramethyl-2-prop-2-enyl-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-prop-2-enyl-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-prop-2-enyl-1,3,2-dioxaborolane is C=CCB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-prop-2-enyl-1,3,2-dioxaborolane?
The InChIKey is YMHIEPNFCBNQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BO2/c1-6-7-10-11-8(2,3)9(4,5)12-10/h6H,1,7H2,2-5H3.
What are the key properties of 4,4,5,5-tetramethyl-2-prop-2-enyl-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-prop-2-enyl-1,3,2-dioxaborolane has a molecular weight of 168.04 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-prop-2-enyl-1,3,2-dioxaborolane is sourced from PubChem (CID 2763171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).