2-[(3S)-hex-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C12H23BO2 — CID 52921336

IUPAC2-[(3S)-hex-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=C[C@H](CCC)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C12H23BO2/c1-7-9-10(8-2)13-14-11(3,4)12(5,6)15-13/h8,10H,2,7,9H2,1,3-6H3/t10-/m1/s1
InChIKeyHOCVDXQMUXMTEZ-SNVBAGLBSA-N
MW210.13 g/mol
LogP3.43
Rot. Bonds4

About 2-[(3S)-hex-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(3S)-hex-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 52921336) has the molecular formula C12H23BO2 and a molecular weight of 210.13 g/mol. Its IUPAC name is 2-[(3S)-hex-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(3S)-hex-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID52921336
Molecular FormulaC12H23BO2
Molecular Weight210.13 g/mol
Exact Mass210.18
IUPAC Name2-[(3S)-hex-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=C[C@H](CCC)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C12H23BO2/c1-7-9-10(8-2)13-14-11(3,4)12(5,6)15-13/h8,10H,2,7,9H2,1,3-6H3/t10-/m1/s1
InChIKeyHOCVDXQMUXMTEZ-SNVBAGLBSA-N
XLogP3.43
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 ≤ 53.43
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'}

Analyze 2-[(3S)-hex-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Cyclopent-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15486611
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
2-(Cyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10932675
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
2-(Cyclohexylidenemethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 12569888
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

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-hex-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(3S)-hex-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 52921336) is 2-[(3S)-hex-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(3S)-hex-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(3S)-hex-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C=C[C@H](CCC)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-[(3S)-hex-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is HOCVDXQMUXMTEZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H23BO2/c1-7-9-10(8-2)13-14-11(3,4)12(5,6)15-13/h8,10H,2,7,9H2,1,3-6H3/t10-/m1/s1.
What are the key properties of 2-[(3S)-hex-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(3S)-hex-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 210.13 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-hex-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 52921336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).