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

C18H27BO3 — CID 54756334

IUPAC(2E)-1-phenyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]pentan-1-ol
SMILESCCC/C(=C\B1OC(C)(C)C(C)(C)O1)C(O)c1ccccc1
InChIInChI=1S/C18H27BO3/c1-6-10-15(16(20)14-11-8-7-9-12-14)13-19-21-17(2,3)18(4,5)22-19/h7-9,11-13,16,20H,6,10H2,1-5H3/b15-13+
InChIKeyILLFBEFIXYCRIV-FYWRMAATSA-N
MW302.22 g/mol
LogP4.08
Rot. Bonds5

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

(2E)-1-phenyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]pentan-1-ol (PubChem CID 54756334) has the molecular formula C18H27BO3 and a molecular weight of 302.22 g/mol. Its IUPAC name is (2E)-1-phenyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]pentan-1-ol.

Molecular Properties

Compound Name(2E)-1-phenyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]pentan-1-ol
PubChem CID54756334
Molecular FormulaC18H27BO3
Molecular Weight302.22 g/mol
Exact Mass302.21
IUPAC Name(2E)-1-phenyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]pentan-1-ol
SMILESCCC/C(=C\B1OC(C)(C)C(C)(C)O1)C(O)c1ccccc1
InChIInChI=1S/C18H27BO3/c1-6-10-15(16(20)14-11-8-7-9-12-14)13-19-21-17(2,3)18(4,5)22-19/h7-9,11-13,16,20H,6,10H2,1-5H3/b15-13+
InChIKeyILLFBEFIXYCRIV-FYWRMAATSA-N
XLogP4.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Phenyl-2-propanol
CID 12053
1-Phenylethanol
CID 7409
1-Phenyl-1-propanol
CID 7147
Fenipentol
CID 3338
1-Phenyl-1,2-ethanediol
CID 7149
1-Phenylethanol, (R)-
CID 637516
1-Phenylethanol, (S)-
CID 443135
1-Phenylbut-3-en-1-ol
CID 220119
2-Phenylbutan-2-ol
CID 15283
1,2-Propanediol, 1,1-diphenyl-
CID 2748265
(1R)-(-)-1-Phenylethane-1,2-diol
CID 2724621
fenipentol, (S)-
CID 6992754

Frequently Asked Questions

What is the IUPAC name of (2E)-1-phenyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]pentan-1-ol?
The IUPAC name of (2E)-1-phenyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]pentan-1-ol (CID 54756334) is (2E)-1-phenyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]pentan-1-ol.
What is the SMILES notation for (2E)-1-phenyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]pentan-1-ol?
The canonical SMILES for (2E)-1-phenyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]pentan-1-ol is CCC/C(=C\B1OC(C)(C)C(C)(C)O1)C(O)c1ccccc1.
What is the InChIKey of (2E)-1-phenyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]pentan-1-ol?
The InChIKey is ILLFBEFIXYCRIV-FYWRMAATSA-N. The full InChI is InChI=1S/C18H27BO3/c1-6-10-15(16(20)14-11-8-7-9-12-14)13-19-21-17(2,3)18(4,5)22-19/h7-9,11-13,16,20H,6,10H2,1-5H3/b15-13+.
What are the key properties of (2E)-1-phenyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]pentan-1-ol?
(2E)-1-phenyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]pentan-1-ol has a molecular weight of 302.22 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-phenyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]pentan-1-ol is sourced from PubChem (CID 54756334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).