2-[2-[(2Z)-2-ethenylpenta-2,4-dienyl]-3-methylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C17H27BO2 — CID 176660031

IUPAC2-[2-[(2Z)-2-ethenylpenta-2,4-dienyl]-3-methylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=C/C=C(\C=C)CC1C(C)C1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C17H27BO2/c1-8-10-13(9-2)11-14-12(3)15(14)18-19-16(4,5)17(6,7)20-18/h8-10,12,14-15H,1-2,11H2,3-7H3/b13-10+
InChIKeyNODHWFSKXMZCAJ-JLHYYAGUSA-N
MW274.21 g/mol
LogP4.40
Rot. Bonds5

About 2-[2-[(2Z)-2-ethenylpenta-2,4-dienyl]-3-methylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[2-[(2Z)-2-ethenylpenta-2,4-dienyl]-3-methylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 176660031) has the molecular formula C17H27BO2 and a molecular weight of 274.21 g/mol. Its IUPAC name is 2-[2-[(2Z)-2-ethenylpenta-2,4-dienyl]-3-methylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[2-[(2Z)-2-ethenylpenta-2,4-dienyl]-3-methylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID176660031
Molecular FormulaC17H27BO2
Molecular Weight274.21 g/mol
Exact Mass274.21
IUPAC Name2-[2-[(2Z)-2-ethenylpenta-2,4-dienyl]-3-methylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=C/C=C(\C=C)CC1C(C)C1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C17H27BO2/c1-8-10-13(9-2)11-14-12(3)15(14)18-19-16(4,5)17(6,7)20-18/h8-10,12,14-15H,1-2,11H2,3-7H3/b13-10+
InChIKeyNODHWFSKXMZCAJ-JLHYYAGUSA-N
XLogP4.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.21
LogP ≤ 54.40
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

(E)-2-(2-(cyclohex-1-en-1-yl)vinyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11310851
2-[4-(2,2-Difluorocyclopropyl)cyclohexa-1,5-dien-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 173761026
4,4,5,5-tetramethyl-2-[(1S,2S)-2-[(E)-oct-1-enyl]cyclopropyl]-1,3,2-dioxaborolane
CID 11208192
2-[(1E,3E)-deca-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11265537
4,4,5,5-tetramethyl-2-[(5E,7E)-tetradeca-5,7-dien-5-yl]-1,3,2-dioxaborolane
CID 15253342
2-((6E,10E)-9-cyclopropyl-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 101043901
2-[(Z)-2-(cyclohexen-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 124637848
2-[(1R,6E)-1-cyclohexyl-6-ethylidenecyclohexa-2,4-dien-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 138968672
2-[(2E,4E)-5-cyclohexylpenta-2,4-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 139124851
2-[(3E,5E)-dodeca-3,5-dien-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 154712999
4,4,5,5-tetramethyl-2-[(2E,4E)-undeca-2,4-dien-2-yl]-1,3,2-dioxaborolane
CID 154719854
2-[(2E,4E)-5-(cyclohexen-1-yl)penta-2,4-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 154719959

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2Z)-2-ethenylpenta-2,4-dienyl]-3-methylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[2-[(2Z)-2-ethenylpenta-2,4-dienyl]-3-methylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 176660031) is 2-[2-[(2Z)-2-ethenylpenta-2,4-dienyl]-3-methylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[2-[(2Z)-2-ethenylpenta-2,4-dienyl]-3-methylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[2-[(2Z)-2-ethenylpenta-2,4-dienyl]-3-methylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C=C/C=C(\C=C)CC1C(C)C1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-[2-[(2Z)-2-ethenylpenta-2,4-dienyl]-3-methylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is NODHWFSKXMZCAJ-JLHYYAGUSA-N. The full InChI is InChI=1S/C17H27BO2/c1-8-10-13(9-2)11-14-12(3)15(14)18-19-16(4,5)17(6,7)20-18/h8-10,12,14-15H,1-2,11H2,3-7H3/b13-10+.
What are the key properties of 2-[2-[(2Z)-2-ethenylpenta-2,4-dienyl]-3-methylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[2-[(2Z)-2-ethenylpenta-2,4-dienyl]-3-methylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 274.21 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2Z)-2-ethenylpenta-2,4-dienyl]-3-methylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 176660031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).