2-(6,6-dimethylhepta-1,2-dien-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C15H27BO2 — CID 10422206

IUPAC2-(6,6-dimethylhepta-1,2-dien-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=C=CC(CC(C)(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C15H27BO2/c1-9-10-12(11-13(2,3)4)16-17-14(5,6)15(7,8)18-16/h10,12H,1,11H2,2-8H3
InChIKeyMUNPXCBMBAJEPM-UHFFFAOYSA-N
MW250.19 g/mol
LogP4.23
Rot. Bonds3

About 2-(6,6-dimethylhepta-1,2-dien-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(6,6-dimethylhepta-1,2-dien-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 10422206) has the molecular formula C15H27BO2 and a molecular weight of 250.19 g/mol. Its IUPAC name is 2-(6,6-dimethylhepta-1,2-dien-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(6,6-dimethylhepta-1,2-dien-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID10422206
Molecular FormulaC15H27BO2
Molecular Weight250.19 g/mol
Exact Mass250.21
IUPAC Name2-(6,6-dimethylhepta-1,2-dien-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=C=CC(CC(C)(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C15H27BO2/c1-9-10-12(11-13(2,3)4)16-17-14(5,6)15(7,8)18-16/h10,12H,1,11H2,2-8H3
InChIKeyMUNPXCBMBAJEPM-UHFFFAOYSA-N
XLogP4.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(6,6-dimethylhepta-1,2-dien-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane with MolForge

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Related Compounds

tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoate
CID 12680495
4,4,5,5-tetramethyl-2-oct-1-en-3-yl-1,3,2-dioxaborolane
CID 132938680
2-[(E,4R)-hept-2-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 101473978
(E)-3,3,5-trimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-enenitrile
CID 174044217
2-[(2S)-but-3-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 74787913
2-(1-iodobut-3-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 86016097
2-[(1S)-1-chlorobut-3-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 57122787
4,4,5,5-tetramethyl-2-pentan-3-yl-1,3,2-dioxaborolane
CID 56926967
4,4,5,5-tetramethyl-2-[(3R)-5-phenylpent-1-en-3-yl]-1,3,2-dioxaborolane
CID 102582096
methyl (4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoate
CID 134860416
4,4,5,5-tetramethyl-2-[(E,3S)-5,6,6-trimethyl-1-phenylhept-4-en-3-yl]-1,3,2-dioxaborolane
CID 122232202
2-(3,3-dimethylbutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15259989

Frequently Asked Questions

What is the IUPAC name of 2-(6,6-dimethylhepta-1,2-dien-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(6,6-dimethylhepta-1,2-dien-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 10422206) is 2-(6,6-dimethylhepta-1,2-dien-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(6,6-dimethylhepta-1,2-dien-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(6,6-dimethylhepta-1,2-dien-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C=C=CC(CC(C)(C)C)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-(6,6-dimethylhepta-1,2-dien-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is MUNPXCBMBAJEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BO2/c1-9-10-12(11-13(2,3)4)16-17-14(5,6)15(7,8)18-16/h10,12H,1,11H2,2-8H3.
What are the key properties of 2-(6,6-dimethylhepta-1,2-dien-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(6,6-dimethylhepta-1,2-dien-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 250.19 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6-dimethylhepta-1,2-dien-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 10422206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).