CID 59896766

C5H11O — CID 59896766

IUPAC—
SMILESCC[CH]COC
InChIInChI=1S/C5H11O/c1-3-4-5-6-2/h4H,3,5H2,1-2H3
InChIKeyHXAUIIWDNGHFRK-UHFFFAOYSA-N
MW87.14 g/mol
LogP1.25
Rot. Bonds3

About CID 59896766

CID 59896766 (PubChem CID 59896766) has the molecular formula C5H11O and a molecular weight of 87.14 g/mol.

Molecular Properties

Compound NameCID 59896766
PubChem CID59896766
Molecular FormulaC5H11O
Molecular Weight87.14 g/mol
Exact Mass87.08
IUPAC Name—
SMILESCC[CH]COC
InChIInChI=1S/C5H11O/c1-3-4-5-6-2/h4H,3,5H2,1-2H3
InChIKeyHXAUIIWDNGHFRK-UHFFFAOYSA-N
XLogP1.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.14
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59896766?
The IUPAC name of CID 59896766 (CID 59896766) is not available.
What is the SMILES notation for CID 59896766?
The canonical SMILES for CID 59896766 is CC[CH]COC.
What is the InChIKey of CID 59896766?
The InChIKey is HXAUIIWDNGHFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O/c1-3-4-5-6-2/h4H,3,5H2,1-2H3.
What are the key properties of CID 59896766?
CID 59896766 has a molecular weight of 87.14 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59896766 is sourced from PubChem (CID 59896766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).