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

C15H29BO2 — CID 101154895

IUPAC2-(3-tert-butylpent-4-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=CC(CCB1OC(C)(C)C(C)(C)O1)C(C)(C)C
InChIInChI=1S/C15H29BO2/c1-9-12(13(2,3)4)10-11-16-17-14(5,6)15(7,8)18-16/h9,12H,1,10-11H2,2-8H3
InChIKeyPOAQWQKUAIKMPK-UHFFFAOYSA-N
MW252.21 g/mol
LogP4.32
Rot. Bonds4

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

2-(3-tert-butylpent-4-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 101154895) has the molecular formula C15H29BO2 and a molecular weight of 252.21 g/mol. Its IUPAC name is 2-(3-tert-butylpent-4-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(3-tert-butylpent-4-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID101154895
Molecular FormulaC15H29BO2
Molecular Weight252.21 g/mol
Exact Mass252.23
IUPAC Name2-(3-tert-butylpent-4-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=CC(CCB1OC(C)(C)C(C)(C)O1)C(C)(C)C
InChIInChI=1S/C15H29BO2/c1-9-12(13(2,3)4)10-11-16-17-14(5,6)15(7,8)18-16/h9,12H,1,10-11H2,2-8H3
InChIKeyPOAQWQKUAIKMPK-UHFFFAOYSA-N
XLogP4.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.21
LogP ≤ 54.32
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

2-[(E)-hex-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11106616
(E)-2-(2-cyclohexylvinyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 12066515
4,4,5,5-Tetramethyl-2-[(1E)-pent-1-en-1-yl]-1,3,2-dioxaborolane
CID 15211560
4,4,5,5-tetramethyl-2-((1E)-3-methylbut-1-en-1-yl)-1,3,2-dioxaborolane
CID 15206435
(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
4,4,5,5-Tetramethyl-2-(pent-1-en-3-yl)-1,3,2-dioxaborolane
CID 11701200
2-[(1E)-4,4-dimethylpent-1-en-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 132597985
2-(4-tert-Butylcyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15486605
2-(4,4-Dimethylpent-1-en-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 165999832
2-[(Z)-hex-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10104536
2-[(E)-2-cyclobutylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 165471590

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylpent-4-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(3-tert-butylpent-4-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 101154895) is 2-(3-tert-butylpent-4-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(3-tert-butylpent-4-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(3-tert-butylpent-4-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C=CC(CCB1OC(C)(C)C(C)(C)O1)C(C)(C)C.
What is the InChIKey of 2-(3-tert-butylpent-4-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is POAQWQKUAIKMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29BO2/c1-9-12(13(2,3)4)10-11-16-17-14(5,6)15(7,8)18-16/h9,12H,1,10-11H2,2-8H3.
What are the key properties of 2-(3-tert-butylpent-4-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(3-tert-butylpent-4-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 252.21 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylpent-4-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 101154895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).