4,4,5,5-tetramethyl-2-(3-methylpent-1-enyl)-1,3,2-dioxaborolane

C12H23BO2 — CID 85151128

IUPAC4,4,5,5-tetramethyl-2-(3-methylpent-1-enyl)-1,3,2-dioxaborolane
SMILESCCC(C)C=CB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C12H23BO2/c1-7-10(2)8-9-13-14-11(3,4)12(5,6)15-13/h8-10H,7H2,1-6H3
InChIKeyYMHCJRIEOLRVLC-UHFFFAOYSA-N
MW210.13 g/mol
LogP3.22
Rot. Bonds3

About 4,4,5,5-tetramethyl-2-(3-methylpent-1-enyl)-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-(3-methylpent-1-enyl)-1,3,2-dioxaborolane (PubChem CID 85151128) has the molecular formula C12H23BO2 and a molecular weight of 210.13 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-(3-methylpent-1-enyl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(3-methylpent-1-enyl)-1,3,2-dioxaborolane
PubChem CID85151128
Molecular FormulaC12H23BO2
Molecular Weight210.13 g/mol
Exact Mass210.18
IUPAC Name4,4,5,5-tetramethyl-2-(3-methylpent-1-enyl)-1,3,2-dioxaborolane
SMILESCCC(C)C=CB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C12H23BO2/c1-7-10(2)8-9-13-14-11(3,4)12(5,6)15-13/h8-10H,7H2,1-6H3
InChIKeyYMHCJRIEOLRVLC-UHFFFAOYSA-N
XLogP3.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.13
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-ol
CID 171156333
(E)-3,3,5-trimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-enenitrile
CID 174044217
3,6-dimethyloct-4-ene
CID 73165576
2-[(E)-3-heptan-2-yloxyhept-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 144994429
(E)-N,N-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine
CID 67227822
N-[(E)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-yl]aniline
CID 135053485
(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenol
CID 166102136
2-(3-bromoprop-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 71332875
(E,3S)-1-iodo-3-methylpent-1-ene
CID 24773193
(E)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-one
CID 11745556
2-[(1E,3E)-4-methoxybuta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 101232654
4,4,5,5-tetramethyl-2-non-1-enyl-1,3,2-dioxaborolane
CID 86013616

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-(3-methylpent-1-enyl)-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-(3-methylpent-1-enyl)-1,3,2-dioxaborolane (CID 85151128) is 4,4,5,5-tetramethyl-2-(3-methylpent-1-enyl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(3-methylpent-1-enyl)-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(3-methylpent-1-enyl)-1,3,2-dioxaborolane is CCC(C)C=CB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(3-methylpent-1-enyl)-1,3,2-dioxaborolane?
The InChIKey is YMHCJRIEOLRVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BO2/c1-7-10(2)8-9-13-14-11(3,4)12(5,6)15-13/h8-10H,7H2,1-6H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(3-methylpent-1-enyl)-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-(3-methylpent-1-enyl)-1,3,2-dioxaborolane has a molecular weight of 210.13 g/mol, XLogP of 3.22, 3 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-(3-methylpent-1-enyl)-1,3,2-dioxaborolane is sourced from PubChem (CID 85151128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).