CID 175613158

C15H29B2O4 — CID 175613158

IUPAC—
SMILESCC(C)(O)C(C)(C)O[B]C1(B2OC(C)(C)C(C)(C)O2)CC1
InChIInChI=1S/C15H29B2O4/c1-11(2,18)12(3,4)19-16-15(9-10-15)17-20-13(5,6)14(7,8)21-17/h18H,9-10H2,1-8H3
InChIKeyZYOPSAUUOOHSMF-UHFFFAOYSA-N
MW295.02 g/mol
LogP2.76
Rot. Bonds5

About CID 175613158

CID 175613158 (PubChem CID 175613158) has the molecular formula C15H29B2O4 and a molecular weight of 295.02 g/mol.

Molecular Properties

Compound NameCID 175613158
PubChem CID175613158
Molecular FormulaC15H29B2O4
Molecular Weight295.02 g/mol
Exact Mass295.23
IUPAC Name—
SMILESCC(C)(O)C(C)(C)O[B]C1(B2OC(C)(C)C(C)(C)O2)CC1
InChIInChI=1S/C15H29B2O4/c1-11(2,18)12(3,4)19-16-15(9-10-15)17-20-13(5,6)14(7,8)21-17/h18H,9-10H2,1-8H3
InChIKeyZYOPSAUUOOHSMF-UHFFFAOYSA-N
XLogP2.76
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.02
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl 2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexyl]acetate
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CID 155724244
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CID 87803025
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CID 90346656
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2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol
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Frequently Asked Questions

What is the IUPAC name of CID 175613158?
The IUPAC name of CID 175613158 (CID 175613158) is not available.
What is the SMILES notation for CID 175613158?
The canonical SMILES for CID 175613158 is CC(C)(O)C(C)(C)O[B]C1(B2OC(C)(C)C(C)(C)O2)CC1.
What is the InChIKey of CID 175613158?
The InChIKey is ZYOPSAUUOOHSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29B2O4/c1-11(2,18)12(3,4)19-16-15(9-10-15)17-20-13(5,6)14(7,8)21-17/h18H,9-10H2,1-8H3.
What are the key properties of CID 175613158?
CID 175613158 has a molecular weight of 295.02 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175613158 is sourced from PubChem (CID 175613158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).