CID 174027814

C14H24BNO4 — CID 174027814

IUPAC—
SMILES[B]C1(C)C(C)(C)CC(C)(C)C(O)(O)C(=O)NC12COC2
InChIInChI=1S/C14H24BNO4/c1-10(2)6-11(3,4)14(18,19)9(17)16-13(7-20-8-13)12(10,5)15/h18-19H,6-8H2,1-5H3,(H,16,17)
InChIKeyPCDIGEZWDIUXHV-UHFFFAOYSA-N
MW281.16 g/mol
LogP0.36
Rot. Bonds

About CID 174027814

CID 174027814 (PubChem CID 174027814) has the molecular formula C14H24BNO4 and a molecular weight of 281.16 g/mol.

Molecular Properties

Compound NameCID 174027814
PubChem CID174027814
Molecular FormulaC14H24BNO4
Molecular Weight281.16 g/mol
Exact Mass281.18
IUPAC Name—
SMILES[B]C1(C)C(C)(C)CC(C)(C)C(O)(O)C(=O)NC12COC2
InChIInChI=1S/C14H24BNO4/c1-10(2)6-11(3,4)14(18,19)9(17)16-13(7-20-8-13)12(10,5)15/h18-19H,6-8H2,1-5H3,(H,16,17)
InChIKeyPCDIGEZWDIUXHV-UHFFFAOYSA-N
XLogP0.36
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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6,6-dimethyl-1,4-oxazepan-3-one
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Frequently Asked Questions

What is the IUPAC name of CID 174027814?
The IUPAC name of CID 174027814 (CID 174027814) is not available.
What is the SMILES notation for CID 174027814?
The canonical SMILES for CID 174027814 is [B]C1(C)C(C)(C)CC(C)(C)C(O)(O)C(=O)NC12COC2.
What is the InChIKey of CID 174027814?
The InChIKey is PCDIGEZWDIUXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BNO4/c1-10(2)6-11(3,4)14(18,19)9(17)16-13(7-20-8-13)12(10,5)15/h18-19H,6-8H2,1-5H3,(H,16,17).
What are the key properties of CID 174027814?
CID 174027814 has a molecular weight of 281.16 g/mol, XLogP of 0.36, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174027814 is sourced from PubChem (CID 174027814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).