2-[1-(3,3-dipropylcyclobutyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C18H33BO2 — CID 138981016

IUPAC2-[1-(3,3-dipropylcyclobutyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=C(B1OC(C)(C)C(C)(C)O1)C1CC(CCC)(CCC)C1
InChIInChI=1S/C18H33BO2/c1-8-10-18(11-9-2)12-15(13-18)14(3)19-20-16(4,5)17(6,7)21-19/h15H,3,8-13H2,1-2,4-7H3
InChIKeyGUTFUGRITYISBW-UHFFFAOYSA-N
MW292.27 g/mol
LogP5.17
Rot. Bonds6

About 2-[1-(3,3-dipropylcyclobutyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[1-(3,3-dipropylcyclobutyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 138981016) has the molecular formula C18H33BO2 and a molecular weight of 292.27 g/mol. Its IUPAC name is 2-[1-(3,3-dipropylcyclobutyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[1-(3,3-dipropylcyclobutyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID138981016
Molecular FormulaC18H33BO2
Molecular Weight292.27 g/mol
Exact Mass292.26
IUPAC Name2-[1-(3,3-dipropylcyclobutyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=C(B1OC(C)(C)C(C)(C)O1)C1CC(CCC)(CCC)C1
InChIInChI=1S/C18H33BO2/c1-8-10-18(11-9-2)12-15(13-18)14(3)19-20-16(4,5)17(6,7)21-19/h15H,3,8-13H2,1-2,4-7H3
InChIKeyGUTFUGRITYISBW-UHFFFAOYSA-N
XLogP5.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.27
LogP ≤ 55.17
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

2-(2,2-Dipropylpent-4-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 122366992
4,4,5,5-Tetramethyl-2-[1-(spiro[3.5]nonan-2-yl)vinyl]-1,3,2-dioxaborolane
CID 138981013
2-(3-(Hex-5-en-1-yl)bicyclo[1.1.1]pentan-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164510855
2-(3-(But-3-en-1-yl)bicyclo[1.1.1]pentan-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164510880
2-[(4-Tert-butylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164643528
2-(4-Cyclobutyl-1-fluoro-3,3-dimethylbut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110466
2-[4-(3,3-Dimethylcyclobutyl)-1-fluoro-3,3-dimethylbut-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110468
2-(2,4-Dimethyl-5-methylideneheptan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 174079218
2-[(E)-2-cycloundecylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 174102018
2-((3-Isopropylcyclobutylidene)methyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 133623436
2-[2,2-Di(cyclobutyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 133629179
2-[(Z)-2-cyclobutylbut-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 133673890

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,3-dipropylcyclobutyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[1-(3,3-dipropylcyclobutyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 138981016) is 2-[1-(3,3-dipropylcyclobutyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[1-(3,3-dipropylcyclobutyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[1-(3,3-dipropylcyclobutyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C=C(B1OC(C)(C)C(C)(C)O1)C1CC(CCC)(CCC)C1.
What is the InChIKey of 2-[1-(3,3-dipropylcyclobutyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is GUTFUGRITYISBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33BO2/c1-8-10-18(11-9-2)12-15(13-18)14(3)19-20-16(4,5)17(6,7)21-19/h15H,3,8-13H2,1-2,4-7H3.
What are the key properties of 2-[1-(3,3-dipropylcyclobutyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[1-(3,3-dipropylcyclobutyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 292.27 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,3-dipropylcyclobutyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 138981016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).