CID 58139751

C8H16O — CID 58139751

IUPAC—
SMILES[CH]OCCC(C)(C)CC
InChIInChI=1S/C8H16O/c1-5-8(2,3)6-7-9-4/h4H,5-7H2,1-3H3
InChIKeyPXACXCOBIAFJEA-UHFFFAOYSA-N
MW128.22 g/mol
LogP2.50
Rot. Bonds4

About CID 58139751

CID 58139751 (PubChem CID 58139751) has the molecular formula C8H16O and a molecular weight of 128.22 g/mol.

Molecular Properties

Compound NameCID 58139751
PubChem CID58139751
Molecular FormulaC8H16O
Molecular Weight128.22 g/mol
Exact Mass128.12
IUPAC Name—
SMILES[CH]OCCC(C)(C)CC
InChIInChI=1S/C8H16O/c1-5-8(2,3)6-7-9-4/h4H,5-7H2,1-3H3
InChIKeyPXACXCOBIAFJEA-UHFFFAOYSA-N
XLogP2.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 58139751?
The IUPAC name of CID 58139751 (CID 58139751) is not available.
What is the SMILES notation for CID 58139751?
The canonical SMILES for CID 58139751 is [CH]OCCC(C)(C)CC.
What is the InChIKey of CID 58139751?
The InChIKey is PXACXCOBIAFJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-5-8(2,3)6-7-9-4/h4H,5-7H2,1-3H3.
What are the key properties of CID 58139751?
CID 58139751 has a molecular weight of 128.22 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58139751 is sourced from PubChem (CID 58139751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).