2-[(3E,5Z)-3-fluoro-2,5-dimethylhepta-1,3,5-trien-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C15H24BFO2 — CID 144708395

IUPAC2-[(3E,5Z)-3-fluoro-2,5-dimethylhepta-1,3,5-trien-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=C(C)/C(F)=C(B1OC(C)(C)C(C)(C)O1)/C(C)=C\C
InChIInChI=1S/C15H24BFO2/c1-9-11(4)12(13(17)10(2)3)16-18-14(5,6)15(7,8)19-16/h9H,2H2,1,3-8H3/b11-9-,13-12-
InChIKeyFYACJLFCCKUYCV-KBMMCUQCSA-N
MW266.16 g/mol
LogP4.38
Rot. Bonds3

About 2-[(3E,5Z)-3-fluoro-2,5-dimethylhepta-1,3,5-trien-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(3E,5Z)-3-fluoro-2,5-dimethylhepta-1,3,5-trien-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 144708395) has the molecular formula C15H24BFO2 and a molecular weight of 266.16 g/mol. Its IUPAC name is 2-[(3E,5Z)-3-fluoro-2,5-dimethylhepta-1,3,5-trien-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(3E,5Z)-3-fluoro-2,5-dimethylhepta-1,3,5-trien-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID144708395
Molecular FormulaC15H24BFO2
Molecular Weight266.16 g/mol
Exact Mass266.19
IUPAC Name2-[(3E,5Z)-3-fluoro-2,5-dimethylhepta-1,3,5-trien-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=C(C)/C(F)=C(B1OC(C)(C)C(C)(C)O1)/C(C)=C\C
InChIInChI=1S/C15H24BFO2/c1-9-11(4)12(13(17)10(2)3)16-18-14(5,6)15(7,8)19-16/h9H,2H2,1,3-8H3/b11-9-,13-12-
InChIKeyFYACJLFCCKUYCV-KBMMCUQCSA-N
XLogP4.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.16
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5-tetramethyl-2-((2Z)-pent-2-en-3-yl)-1,3,2-dioxaborolane
CID 58548511
2-Cyclopenta-1,3-dien-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 13828422
(Z)-4,4,5,5-tetramethyl-2-(oct-4-en-4-yl)-1,3,2-dioxaborolane
CID 11264894
4,4,5,5-tetramethyl-2-[(E)-pent-3-en-2-yl]-1,3,2-dioxaborolane
CID 21771552
Agn-PC-009zql
CID 11482352
(Z)-2-(hex-3-en-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10943741
2-[(E)-hex-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15748687
2-[(E)-4,4-dimethylpent-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 66886562
2-Cyclopenta-1,4-dien-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 68032199
4,4,5,5-tetramethyl-2-[(E)-4-methylpent-2-en-2-yl]-1,3,2-dioxaborolane
CID 68197276
2-[(Z)-hept-3-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 71191225
4,4,5,5-tetramethyl-2-[(Z)-4-methylpent-2-en-2-yl]-1,3,2-dioxaborolane
CID 101902473

Frequently Asked Questions

What is the IUPAC name of 2-[(3E,5Z)-3-fluoro-2,5-dimethylhepta-1,3,5-trien-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(3E,5Z)-3-fluoro-2,5-dimethylhepta-1,3,5-trien-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 144708395) is 2-[(3E,5Z)-3-fluoro-2,5-dimethylhepta-1,3,5-trien-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(3E,5Z)-3-fluoro-2,5-dimethylhepta-1,3,5-trien-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(3E,5Z)-3-fluoro-2,5-dimethylhepta-1,3,5-trien-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C=C(C)/C(F)=C(B1OC(C)(C)C(C)(C)O1)/C(C)=C\C.
What is the InChIKey of 2-[(3E,5Z)-3-fluoro-2,5-dimethylhepta-1,3,5-trien-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is FYACJLFCCKUYCV-KBMMCUQCSA-N. The full InChI is InChI=1S/C15H24BFO2/c1-9-11(4)12(13(17)10(2)3)16-18-14(5,6)15(7,8)19-16/h9H,2H2,1,3-8H3/b11-9-,13-12-.
What are the key properties of 2-[(3E,5Z)-3-fluoro-2,5-dimethylhepta-1,3,5-trien-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(3E,5Z)-3-fluoro-2,5-dimethylhepta-1,3,5-trien-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 266.16 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E,5Z)-3-fluoro-2,5-dimethylhepta-1,3,5-trien-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 144708395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).