2-[(E)-3-cyclopentyl-3-methoxyprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C15H27BO3 — CID 165471439

IUPAC2-[(E)-3-cyclopentyl-3-methoxyprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOC(/C=C/B1OC(C)(C)C(C)(C)O1)C1CCCC1
InChIInChI=1S/C15H27BO3/c1-14(2)15(3,4)19-16(18-14)11-10-13(17-5)12-8-6-7-9-12/h10-13H,6-9H2,1-5H3/b11-10+
InChIKeyQFVAMKJGLKYBID-ZHACJKMWSA-N
MW266.19 g/mol
LogP3.38
Rot. Bonds4

About 2-[(E)-3-cyclopentyl-3-methoxyprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(E)-3-cyclopentyl-3-methoxyprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 165471439) has the molecular formula C15H27BO3 and a molecular weight of 266.19 g/mol. Its IUPAC name is 2-[(E)-3-cyclopentyl-3-methoxyprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(E)-3-cyclopentyl-3-methoxyprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID165471439
Molecular FormulaC15H27BO3
Molecular Weight266.19 g/mol
Exact Mass266.21
IUPAC Name2-[(E)-3-cyclopentyl-3-methoxyprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOC(/C=C/B1OC(C)(C)C(C)(C)O1)C1CCCC1
InChIInChI=1S/C15H27BO3/c1-14(2)15(3,4)19-16(18-14)11-10-13(17-5)12-8-6-7-9-12/h10-13H,6-9H2,1-5H3/b11-10+
InChIKeyQFVAMKJGLKYBID-ZHACJKMWSA-N
XLogP3.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.19
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-cyclopentyl-3-methoxyprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(E)-3-cyclopentyl-3-methoxyprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 165471439) is 2-[(E)-3-cyclopentyl-3-methoxyprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(E)-3-cyclopentyl-3-methoxyprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(E)-3-cyclopentyl-3-methoxyprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is COC(/C=C/B1OC(C)(C)C(C)(C)O1)C1CCCC1.
What is the InChIKey of 2-[(E)-3-cyclopentyl-3-methoxyprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is QFVAMKJGLKYBID-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H27BO3/c1-14(2)15(3,4)19-16(18-14)11-10-13(17-5)12-8-6-7-9-12/h10-13H,6-9H2,1-5H3/b11-10+.
What are the key properties of 2-[(E)-3-cyclopentyl-3-methoxyprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(E)-3-cyclopentyl-3-methoxyprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 266.19 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-cyclopentyl-3-methoxyprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 165471439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).