2-[(1R)-2-butylcyclobutyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C14H27BO2 — CID 154712564

IUPAC2-[(1R)-2-butylcyclobutyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCCC1CC[C@H]1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H27BO2/c1-6-7-8-11-9-10-12(11)15-16-13(2,3)14(4,5)17-15/h11-12H,6-10H2,1-5H3/t11?,12-/m1/s1
InChIKeyVXQSSMUTNFHUFT-PIJUOVFKSA-N
MW238.18 g/mol
LogP4.05
Rot. Bonds4

About 2-[(1R)-2-butylcyclobutyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(1R)-2-butylcyclobutyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 154712564) has the molecular formula C14H27BO2 and a molecular weight of 238.18 g/mol. Its IUPAC name is 2-[(1R)-2-butylcyclobutyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(1R)-2-butylcyclobutyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID154712564
Molecular FormulaC14H27BO2
Molecular Weight238.18 g/mol
Exact Mass238.21
IUPAC Name2-[(1R)-2-butylcyclobutyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCCC1CC[C@H]1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H27BO2/c1-6-7-8-11-9-10-12(11)15-16-13(2,3)14(4,5)17-15/h11-12H,6-10H2,1-5H3/t11?,12-/m1/s1
InChIKeyVXQSSMUTNFHUFT-PIJUOVFKSA-N
XLogP4.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[(1R,2R)-2-butylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15148448
4,4,5,5-tetramethyl-2-[(1S,2S)-2-pentylcyclopropyl]-1,3,2-dioxaborolane
CID 102005638
2-(2-decylcyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102159364
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-amine
CID 105482748
4,4,5,5-tetramethyl-2-[(1S,2R)-2-methylcyclopentyl]-1,3,2-dioxaborolane
CID 101198944
[(3R,5S,7R,7aS,11aR)-5-hexyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,5,6,7,7a,8,9,10,11-decahydro-1H-pyrrolo[2,1-j]quinolin-3-yl]methanol
CID 134974553
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
(2,3-dihexyl-6-nonylcyclohexyl)methanamine
CID 161402447
trans-(1R,2R)-1-butyl-2-propylcyclopentane
CID 14574886
3,4-dibutylcyclohexan-1-ol
CID 71347162
1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane
CID 23590146

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2-butylcyclobutyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(1R)-2-butylcyclobutyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 154712564) is 2-[(1R)-2-butylcyclobutyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(1R)-2-butylcyclobutyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(1R)-2-butylcyclobutyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCCCC1CC[C@H]1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-[(1R)-2-butylcyclobutyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is VXQSSMUTNFHUFT-PIJUOVFKSA-N. The full InChI is InChI=1S/C14H27BO2/c1-6-7-8-11-9-10-12(11)15-16-13(2,3)14(4,5)17-15/h11-12H,6-10H2,1-5H3/t11?,12-/m1/s1.
What are the key properties of 2-[(1R)-2-butylcyclobutyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(1R)-2-butylcyclobutyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 238.18 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2-butylcyclobutyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 154712564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).