[(1R,2S,3S)-2,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentyl]methanol

C18H34B2O5 — CID 170898558

IUPAC[(1R,2S,3S)-2,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentyl]methanol
SMILESCC1(C)OB([C@@H]2[C@H](CO)CC[C@@H]2B2OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C18H34B2O5/c1-15(2)16(3,4)23-19(22-15)13-10-9-12(11-21)14(13)20-24-17(5,6)18(7,8)25-20/h12-14,21H,9-11H2,1-8H3/t12-,13-,14+/m0/s1
InChIKeyPYYNBXGQCIEPNY-MELADBBJSA-N
MW352.09 g/mol
LogP3.31
Rot. Bonds3

About [(1R,2S,3S)-2,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentyl]methanol

[(1R,2S,3S)-2,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentyl]methanol (PubChem CID 170898558) has the molecular formula C18H34B2O5 and a molecular weight of 352.09 g/mol. Its IUPAC name is [(1R,2S,3S)-2,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,2S,3S)-2,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentyl]methanol
PubChem CID170898558
Molecular FormulaC18H34B2O5
Molecular Weight352.09 g/mol
Exact Mass352.26
IUPAC Name[(1R,2S,3S)-2,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentyl]methanol
SMILESCC1(C)OB([C@@H]2[C@H](CO)CC[C@@H]2B2OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C18H34B2O5/c1-15(2)16(3,4)23-19(22-15)13-10-9-12(11-21)14(13)20-24-17(5,6)18(7,8)25-20/h12-14,21H,9-11H2,1-8H3/t12-,13-,14+/m0/s1
InChIKeyPYYNBXGQCIEPNY-MELADBBJSA-N
XLogP3.31
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.09
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S,3R)-1-methyl-2,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentan-1-ol
CID 138977463
(1S,2S)-1-cyclohexyl-2,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol
CID 154718475
Rel-(3R,4S)-1-isopropyl-3,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentan-1-ol
CID 101893087
((1R,2S,3S)-2,3-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexyl)methanol
CID 168435038
(1R,3R,4S)-3,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentan-1-ol
CID 168436780

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,3S)-2,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentyl]methanol?
The IUPAC name of [(1R,2S,3S)-2,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentyl]methanol (CID 170898558) is [(1R,2S,3S)-2,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentyl]methanol.
What is the SMILES notation for [(1R,2S,3S)-2,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentyl]methanol?
The canonical SMILES for [(1R,2S,3S)-2,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentyl]methanol is CC1(C)OB([C@@H]2[C@H](CO)CC[C@@H]2B2OC(C)(C)C(C)(C)O2)OC1(C)C.
What is the InChIKey of [(1R,2S,3S)-2,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentyl]methanol?
The InChIKey is PYYNBXGQCIEPNY-MELADBBJSA-N. The full InChI is InChI=1S/C18H34B2O5/c1-15(2)16(3,4)23-19(22-15)13-10-9-12(11-21)14(13)20-24-17(5,6)18(7,8)25-20/h12-14,21H,9-11H2,1-8H3/t12-,13-,14+/m0/s1.
What are the key properties of [(1R,2S,3S)-2,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentyl]methanol?
[(1R,2S,3S)-2,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentyl]methanol has a molecular weight of 352.09 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,3S)-2,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentyl]methanol is sourced from PubChem (CID 170898558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).