CID 101484498

C6H11O — CID 101484498

IUPAC—
SMILESCC/C=[C]/OCC
InChIInChI=1S/C6H11O/c1-3-5-6-7-4-2/h5H,3-4H2,1-2H3
InChIKeyGKAYHVZUHBCTDG-UHFFFAOYSA-N
MW99.15 g/mol
LogP1.75
Rot. Bonds3

About CID 101484498

CID 101484498 (PubChem CID 101484498) has the molecular formula C6H11O and a molecular weight of 99.15 g/mol.

Molecular Properties

Compound NameCID 101484498
PubChem CID101484498
Molecular FormulaC6H11O
Molecular Weight99.15 g/mol
Exact Mass99.08
IUPAC Name—
SMILESCC/C=[C]/OCC
InChIInChI=1S/C6H11O/c1-3-5-6-7-4-2/h5H,3-4H2,1-2H3
InChIKeyGKAYHVZUHBCTDG-UHFFFAOYSA-N
XLogP1.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.15
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze CID 101484498 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 101484497
CID 101484497
propane;ruthenium
CID 161061794
but-1-ene-1-thione
CID 14644479
ethyl hypobromite;hydrate
CID 174907776
CID 88781670
CID 88781670
CID 160899482
CID 160899482
ethyl cyanate;methane
CID 157371162
dodeca-3,4-diene
CID 91492112
octa-4,5-dien-1-amine
CID 55284757
octa-4,5-dien-1-ol
CID 14002940
nona-5,6-dien-1-yne
CID 123395060
N-ethylbut-1-en-1-imine
CID 152748831

Frequently Asked Questions

What is the IUPAC name of CID 101484498?
The IUPAC name of CID 101484498 (CID 101484498) is not available.
What is the SMILES notation for CID 101484498?
The canonical SMILES for CID 101484498 is CC/C=[C]/OCC.
What is the InChIKey of CID 101484498?
The InChIKey is GKAYHVZUHBCTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O/c1-3-5-6-7-4-2/h5H,3-4H2,1-2H3.
What are the key properties of CID 101484498?
CID 101484498 has a molecular weight of 99.15 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101484498 is sourced from PubChem (CID 101484498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).