4,4,5,5-tetramethyl-2-[(1S,2S)-2-pentylcyclopropyl]-1,3,2-dioxaborolane

C14H27BO2 — CID 102005638

IUPAC4,4,5,5-tetramethyl-2-[(1S,2S)-2-pentylcyclopropyl]-1,3,2-dioxaborolane
SMILESCCCCC[C@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H27BO2/c1-6-7-8-9-11-10-12(11)15-16-13(2,3)14(4,5)17-15/h11-12H,6-10H2,1-5H3/t11-,12-/m0/s1
InChIKeyBHHIOYLJPHFQNC-RYUDHWBXSA-N
MW238.18 g/mol
LogP4.05
Rot. Bonds5

About 4,4,5,5-tetramethyl-2-[(1S,2S)-2-pentylcyclopropyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[(1S,2S)-2-pentylcyclopropyl]-1,3,2-dioxaborolane (PubChem CID 102005638) has the molecular formula C14H27BO2 and a molecular weight of 238.18 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(1S,2S)-2-pentylcyclopropyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(1S,2S)-2-pentylcyclopropyl]-1,3,2-dioxaborolane
PubChem CID102005638
Molecular FormulaC14H27BO2
Molecular Weight238.18 g/mol
Exact Mass238.21
IUPAC Name4,4,5,5-tetramethyl-2-[(1S,2S)-2-pentylcyclopropyl]-1,3,2-dioxaborolane
SMILESCCCCC[C@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H27BO2/c1-6-7-8-9-11-10-12(11)15-16-13(2,3)14(4,5)17-15/h11-12H,6-10H2,1-5H3/t11-,12-/m0/s1
InChIKeyBHHIOYLJPHFQNC-RYUDHWBXSA-N
XLogP4.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.18
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-decylcyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102159364
2-[(1R,2R)-2-butylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15148448
2-[(1R)-2-butylcyclobutyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 154712564
2-[(1R,2R)-2-(methoxymethyl)cyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 67413514
[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]methoxysilane
CID 175414609
dipropan-2-yl 2-[(1R,2R)-2-pentylcyclopropyl]-1,3,2-dioxaborolane-4,5-dicarboxylate
CID 102005643
1-hexyl-2-undecylcyclopropane
CID 58049498
1,2-dioctylcyclopropane
CID 21337627
trans-(1S,2S)-1-butyl-2-pentylcyclopropane
CID 91692463
tert-butyl-dimethyl-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]methoxy]silane
CID 71272305
1-propyl-2-undecylcyclopropane
CID 123636027
1-methyl-2-pentadecylcyclopropane
CID 54385825

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[(1S,2S)-2-pentylcyclopropyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[(1S,2S)-2-pentylcyclopropyl]-1,3,2-dioxaborolane (CID 102005638) is 4,4,5,5-tetramethyl-2-[(1S,2S)-2-pentylcyclopropyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(1S,2S)-2-pentylcyclopropyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[(1S,2S)-2-pentylcyclopropyl]-1,3,2-dioxaborolane is CCCCC[C@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[(1S,2S)-2-pentylcyclopropyl]-1,3,2-dioxaborolane?
The InChIKey is BHHIOYLJPHFQNC-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H27BO2/c1-6-7-8-9-11-10-12(11)15-16-13(2,3)14(4,5)17-15/h11-12H,6-10H2,1-5H3/t11-,12-/m0/s1.
What are the key properties of 4,4,5,5-tetramethyl-2-[(1S,2S)-2-pentylcyclopropyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[(1S,2S)-2-pentylcyclopropyl]-1,3,2-dioxaborolane has a molecular weight of 238.18 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[(1S,2S)-2-pentylcyclopropyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 102005638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).