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

C12H23BO2 — CID 101146653

IUPAC4,4,5,5-tetramethyl-2-(3-methylpent-4-enyl)-1,3,2-dioxaborolane
SMILESC=CC(C)CCB1OC(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/h7,10H,1,8-9H2,2-6H3
InChIKeyZDQSLIVCMQIWSQ-UHFFFAOYSA-N
MW210.13 g/mol
LogP3.29
Rot. Bonds4

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

4,4,5,5-tetramethyl-2-(3-methylpent-4-enyl)-1,3,2-dioxaborolane (PubChem CID 101146653) 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-4-enyl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(3-methylpent-4-enyl)-1,3,2-dioxaborolane
PubChem CID101146653
Molecular FormulaC12H23BO2
Molecular Weight210.13 g/mol
Exact Mass210.18
IUPAC Name4,4,5,5-tetramethyl-2-(3-methylpent-4-enyl)-1,3,2-dioxaborolane
SMILESC=CC(C)CCB1OC(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/h7,10H,1,8-9H2,2-6H3
InChIKeyZDQSLIVCMQIWSQ-UHFFFAOYSA-N
XLogP3.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.13
LogP ≤ 53.29
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

4,4,5,5-Tetramethyl-2-(prop-2-en-1-yl)-1,3,2-dioxaborolane
CID 2763171
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
4,4,5,5-Tetramethyl-2-[(1E)-pent-1-en-1-yl]-1,3,2-dioxaborolane
CID 15211560
(E)-2-Cyclopropylethylene-1-boronic acid, pinacol ester
CID 16217940
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
4,4,5,5-tetramethyl-2-((1E)-3-methylbut-1-en-1-yl)-1,3,2-dioxaborolane
CID 15206435
2-(But-3-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 46739762
4,4,5,5-Tetramethyl-2-(pent-1-en-2-yl)-1,3,2-dioxaborolane
CID 123897364
(E)-4,4,5,5-Tetramethyl-2-(4-methylpent-1-en-1-yl)-1,3,2-dioxaborolane
CID 124273621
(E)-2-(Hept-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15181925

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-(3-methylpent-4-enyl)-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-(3-methylpent-4-enyl)-1,3,2-dioxaborolane (CID 101146653) is 4,4,5,5-tetramethyl-2-(3-methylpent-4-enyl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(3-methylpent-4-enyl)-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(3-methylpent-4-enyl)-1,3,2-dioxaborolane is C=CC(C)CCB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(3-methylpent-4-enyl)-1,3,2-dioxaborolane?
The InChIKey is ZDQSLIVCMQIWSQ-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/h7,10H,1,8-9H2,2-6H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(3-methylpent-4-enyl)-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-(3-methylpent-4-enyl)-1,3,2-dioxaborolane has a molecular weight of 210.13 g/mol, XLogP of 3.29, 4 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-4-enyl)-1,3,2-dioxaborolane is sourced from PubChem (CID 101146653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).