2-[1-cyclopentylidene-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C20H34B2O4 — CID 101193902

IUPAC2-[1-cyclopentylidene-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=C(B1OC(C)(C)C(C)(C)O1)C(B1OC(C)(C)C(C)(C)O1)=C1CCCC1
InChIInChI=1S/C20H34B2O4/c1-14(21-23-17(2,3)18(4,5)24-21)16(15-12-10-11-13-15)22-25-19(6,7)20(8,9)26-22/h1,10-13H2,2-9H3
InChIKeyGTAKNXWXGUOMKC-UHFFFAOYSA-N
MW360.11 g/mol
LogP4.68
Rot. Bonds3

About 2-[1-cyclopentylidene-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[1-cyclopentylidene-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 101193902) has the molecular formula C20H34B2O4 and a molecular weight of 360.11 g/mol. Its IUPAC name is 2-[1-cyclopentylidene-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[1-cyclopentylidene-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID101193902
Molecular FormulaC20H34B2O4
Molecular Weight360.11 g/mol
Exact Mass360.26
IUPAC Name2-[1-cyclopentylidene-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=C(B1OC(C)(C)C(C)(C)O1)C(B1OC(C)(C)C(C)(C)O1)=C1CCCC1
InChIInChI=1S/C20H34B2O4/c1-14(21-23-17(2,3)18(4,5)24-21)16(15-12-10-11-13-15)22-25-19(6,7)20(8,9)26-22/h1,10-13H2,2-9H3
InChIKeyGTAKNXWXGUOMKC-UHFFFAOYSA-N
XLogP4.68
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.11
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cis-4,5-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-octene
CID 15649673
2-[5,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopenta-1,3-dien-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102497694
4,4,5,5-tetramethyl-2-[(E,7E)-7-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]undec-5-en-6-yl]-1,3,2-dioxaborolane
CID 10949792
2-[(2E,6E)-3,6-dimethyl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)octa-2,6-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11728853
4,4,5,5-tetramethyl-2-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-2-en-2-yl]-1,3,2-dioxaborolane
CID 101716723
4,4,5,5-tetramethyl-2-[(3E)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)octa-1,3-dien-4-yl]-1,3,2-dioxaborolane
CID 102361539
4,4,5,5-tetramethyl-2-[(E,1E)-1-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexylidene]oct-2-enyl]-1,3,2-dioxaborolane
CID 134903709
4,4,5,5-tetramethyl-2-[(E)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-2-en-2-yl]-1,3,2-dioxaborolane
CID 134904048
4,4,5,5-tetramethyl-2-[(5E,7E)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dodeca-5,7-dien-6-yl]-1,3,2-dioxaborolane
CID 134904107
4,4,5,5-tetramethyl-2-[(3E,5E)-2,2,7,7-tetramethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)octa-3,5-dien-4-yl]-1,3,2-dioxaborolane
CID 134904109
2-[(1E,3E)-1,4-dicyclopentyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)buta-1,3-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 134904110
2-[(E)-1-(cyclohexen-1-yl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 154712435

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopentylidene-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[1-cyclopentylidene-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 101193902) is 2-[1-cyclopentylidene-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[1-cyclopentylidene-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[1-cyclopentylidene-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C=C(B1OC(C)(C)C(C)(C)O1)C(B1OC(C)(C)C(C)(C)O1)=C1CCCC1.
What is the InChIKey of 2-[1-cyclopentylidene-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is GTAKNXWXGUOMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34B2O4/c1-14(21-23-17(2,3)18(4,5)24-21)16(15-12-10-11-13-15)22-25-19(6,7)20(8,9)26-22/h1,10-13H2,2-9H3.
What are the key properties of 2-[1-cyclopentylidene-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[1-cyclopentylidene-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 360.11 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopentylidene-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 101193902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).