2-(cyclopentyloxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C12H23BO3 — CID 162415414

IUPAC2-(cyclopentyloxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(COC2CCCC2)OC1(C)C
InChIInChI=1S/C12H23BO3/c1-11(2)12(3,4)16-13(15-11)9-14-10-7-5-6-8-10/h10H,5-9H2,1-4H3
InChIKeyAYMLIDSZGWDONV-UHFFFAOYSA-N
MW226.12 g/mol
LogP2.58
Rot. Bonds3

About 2-(cyclopentyloxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(cyclopentyloxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 162415414) has the molecular formula C12H23BO3 and a molecular weight of 226.12 g/mol. Its IUPAC name is 2-(cyclopentyloxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(cyclopentyloxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID162415414
Molecular FormulaC12H23BO3
Molecular Weight226.12 g/mol
Exact Mass226.17
IUPAC Name2-(cyclopentyloxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(COC2CCCC2)OC1(C)C
InChIInChI=1S/C12H23BO3/c1-11(2)12(3,4)16-13(15-11)9-14-10-7-5-6-8-10/h10H,5-9H2,1-4H3
InChIKeyAYMLIDSZGWDONV-UHFFFAOYSA-N
XLogP2.58
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-(2-Methoxyethyl)cyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 133662414
2-Cyclopentyloxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 134970024
2-(Butoxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 177850385
2-(5-Methoxypentan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 58940077
2-(5-Methoxypentan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 58940078
2-(4-Methoxybutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 121552509
2-[(2S)-3-methoxybutan-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 147579700
4,4,5,5-Tetramethyl-2-pentoxy-1,3,2-dioxaborolane
CID 147911213
2-[[(3S)-hexan-3-yl]oxymethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 158687688
Cyclopentane;2-(3-methoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 159879745
4,4,5,5-Tetramethyl-2-[1-(oxolan-2-yl)ethyl]-1,3,2-dioxaborolane
CID 10727919
2-[(R)-iodo-[(2S)-oxolan-2-yl]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10759415

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentyloxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(cyclopentyloxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 162415414) is 2-(cyclopentyloxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(cyclopentyloxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(cyclopentyloxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(COC2CCCC2)OC1(C)C.
What is the InChIKey of 2-(cyclopentyloxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is AYMLIDSZGWDONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BO3/c1-11(2)12(3,4)16-13(15-11)9-14-10-7-5-6-8-10/h10H,5-9H2,1-4H3.
What are the key properties of 2-(cyclopentyloxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(cyclopentyloxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 226.12 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentyloxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 162415414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).