(2E)-1-cyclopropyl-1-phenyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]decan-1-ol

C26H41BO3 — CID 54756215

IUPAC(2E)-1-cyclopropyl-1-phenyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]decan-1-ol
SMILESCCCCCCCC/C(=C\B1OC(C)(C)C(C)(C)O1)C(O)(c1ccccc1)C1CC1
InChIInChI=1S/C26H41BO3/c1-6-7-8-9-10-12-17-23(20-27-29-24(2,3)25(4,5)30-27)26(28,22-18-19-22)21-15-13-11-14-16-21/h11,13-16,20,22,28H,6-10,12,17-19H2,1-5H3/b23-20+
InChIKeyJXUXINDCQIGDHH-BSYVCWPDSA-N
MW412.42 g/mol
LogP6.59
Rot. Bonds11

About (2E)-1-cyclopropyl-1-phenyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]decan-1-ol

(2E)-1-cyclopropyl-1-phenyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]decan-1-ol (PubChem CID 54756215) has the molecular formula C26H41BO3 and a molecular weight of 412.42 g/mol. Its IUPAC name is (2E)-1-cyclopropyl-1-phenyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]decan-1-ol.

Molecular Properties

Compound Name(2E)-1-cyclopropyl-1-phenyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]decan-1-ol
PubChem CID54756215
Molecular FormulaC26H41BO3
Molecular Weight412.42 g/mol
Exact Mass412.31
IUPAC Name(2E)-1-cyclopropyl-1-phenyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]decan-1-ol
SMILESCCCCCCCC/C(=C\B1OC(C)(C)C(C)(C)O1)C(O)(c1ccccc1)C1CC1
InChIInChI=1S/C26H41BO3/c1-6-7-8-9-10-12-17-23(20-27-29-24(2,3)25(4,5)30-27)26(28,22-18-19-22)21-15-13-11-14-16-21/h11,13-16,20,22,28H,6-10,12,17-19H2,1-5H3/b23-20+
InChIKeyJXUXINDCQIGDHH-BSYVCWPDSA-N
XLogP6.59
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.42
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2E)-1-cyclopropyl-1-phenyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]decan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-1-cyclopropyl-1-phenyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]decan-1-ol?
The IUPAC name of (2E)-1-cyclopropyl-1-phenyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]decan-1-ol (CID 54756215) is (2E)-1-cyclopropyl-1-phenyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]decan-1-ol.
What is the SMILES notation for (2E)-1-cyclopropyl-1-phenyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]decan-1-ol?
The canonical SMILES for (2E)-1-cyclopropyl-1-phenyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]decan-1-ol is CCCCCCCC/C(=C\B1OC(C)(C)C(C)(C)O1)C(O)(c1ccccc1)C1CC1.
What is the InChIKey of (2E)-1-cyclopropyl-1-phenyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]decan-1-ol?
The InChIKey is JXUXINDCQIGDHH-BSYVCWPDSA-N. The full InChI is InChI=1S/C26H41BO3/c1-6-7-8-9-10-12-17-23(20-27-29-24(2,3)25(4,5)30-27)26(28,22-18-19-22)21-15-13-11-14-16-21/h11,13-16,20,22,28H,6-10,12,17-19H2,1-5H3/b23-20+.
What are the key properties of (2E)-1-cyclopropyl-1-phenyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]decan-1-ol?
(2E)-1-cyclopropyl-1-phenyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]decan-1-ol has a molecular weight of 412.42 g/mol, XLogP of 6.59, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-cyclopropyl-1-phenyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]decan-1-ol is sourced from PubChem (CID 54756215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).