CID 87153298

C14H27BO5 — CID 87153298

IUPAC—
SMILES[B][C@@H]1O[C@H](COC)C(OC)[C@@H]1OC[C@H](OC)C(C)(C)C
InChIInChI=1S/C14H27BO5/c1-14(2,3)10(17-5)8-19-12-11(18-6)9(7-16-4)20-13(12)15/h9-13H,7-8H2,1-6H3/t9-,10+,11?,12+,13-/m1/s1
InChIKeyYIPXPEQXFLUHHD-WNOPXHBSSA-N
MW286.18 g/mol
LogP0.99
Rot. Bonds7

About CID 87153298

CID 87153298 (PubChem CID 87153298) has the molecular formula C14H27BO5 and a molecular weight of 286.18 g/mol.

Molecular Properties

Compound NameCID 87153298
PubChem CID87153298
Molecular FormulaC14H27BO5
Molecular Weight286.18 g/mol
Exact Mass286.20
IUPAC Name—
SMILES[B][C@@H]1O[C@H](COC)C(OC)[C@@H]1OC[C@H](OC)C(C)(C)C
InChIInChI=1S/C14H27BO5/c1-14(2,3)10(17-5)8-19-12-11(18-6)9(7-16-4)20-13(12)15/h9-13H,7-8H2,1-6H3/t9-,10+,11?,12+,13-/m1/s1
InChIKeyYIPXPEQXFLUHHD-WNOPXHBSSA-N
XLogP0.99
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.18
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 87153298?
The IUPAC name of CID 87153298 (CID 87153298) is not available.
What is the SMILES notation for CID 87153298?
The canonical SMILES for CID 87153298 is [B][C@@H]1O[C@H](COC)C(OC)[C@@H]1OC[C@H](OC)C(C)(C)C.
What is the InChIKey of CID 87153298?
The InChIKey is YIPXPEQXFLUHHD-WNOPXHBSSA-N. The full InChI is InChI=1S/C14H27BO5/c1-14(2,3)10(17-5)8-19-12-11(18-6)9(7-16-4)20-13(12)15/h9-13H,7-8H2,1-6H3/t9-,10+,11?,12+,13-/m1/s1.
What are the key properties of CID 87153298?
CID 87153298 has a molecular weight of 286.18 g/mol, XLogP of 0.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87153298 is sourced from PubChem (CID 87153298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).