CID 88999867

C8H15BO — CID 88999867

IUPAC—
SMILES[B]CCCCC1CCOC1
InChIInChI=1S/C8H15BO/c9-5-2-1-3-8-4-6-10-7-8/h8H,1-7H2
InChIKeyDYEUTYGWQHDJHU-UHFFFAOYSA-N
MW138.02 g/mol
LogP1.78
Rot. Bonds4

About CID 88999867

CID 88999867 (PubChem CID 88999867) has the molecular formula C8H15BO and a molecular weight of 138.02 g/mol.

Molecular Properties

Compound NameCID 88999867
PubChem CID88999867
Molecular FormulaC8H15BO
Molecular Weight138.02 g/mol
Exact Mass138.12
IUPAC Name—
SMILES[B]CCCCC1CCOC1
InChIInChI=1S/C8H15BO/c9-5-2-1-3-8-4-6-10-7-8/h8H,1-7H2
InChIKeyDYEUTYGWQHDJHU-UHFFFAOYSA-N
XLogP1.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.02
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(5-chloropentyl)oxolane
CID 165447140
5-(oxolan-3-yl)pentanoic acid
CID 142409072
2-(oxolan-3-yl)ethanamine
CID 22355254
(3S)-3-(2-iodoethyl)oxolane
CID 97296763
N-[3-(oxolan-3-yl)propyl]cyclopropanamine
CID 64504217
3-(3-isothiocyanatopropyl)oxolane
CID 131227511
3-(oxolan-3-yl)-N-propan-2-ylpropan-1-amine
CID 64503037
3-octyloxane
CID 69236112
ethyl 5-(oxolan-3-yl)pentanoate
CID 142409094
3-ethyloxolane
CID 10996972
3-(bromomethyl)oxolane
CID 14173422
3-[(3R)-oxan-3-yl]propane-1-thiol
CID 142369160

Frequently Asked Questions

What is the IUPAC name of CID 88999867?
The IUPAC name of CID 88999867 (CID 88999867) is not available.
What is the SMILES notation for CID 88999867?
The canonical SMILES for CID 88999867 is [B]CCCCC1CCOC1.
What is the InChIKey of CID 88999867?
The InChIKey is DYEUTYGWQHDJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BO/c9-5-2-1-3-8-4-6-10-7-8/h8H,1-7H2.
What are the key properties of CID 88999867?
CID 88999867 has a molecular weight of 138.02 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88999867 is sourced from PubChem (CID 88999867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).