CID 101447150

C4H9O3 — CID 101447150

IUPAC—
SMILESCCOCCO[O]
InChIInChI=1S/C4H9O3/c1-2-6-3-4-7-5/h2-4H2,1H3
InChIKeyYEDTWFWLCFNYIV-UHFFFAOYSA-N
MW105.11 g/mol
LogP0.38
Rot. Bonds4

About CID 101447150

CID 101447150 (PubChem CID 101447150) has the molecular formula C4H9O3 and a molecular weight of 105.11 g/mol.

Molecular Properties

Compound NameCID 101447150
PubChem CID101447150
Molecular FormulaC4H9O3
Molecular Weight105.11 g/mol
Exact Mass105.06
IUPAC Name—
SMILESCCOCCO[O]
InChIInChI=1S/C4H9O3/c1-2-6-3-4-7-5/h2-4H2,1H3
InChIKeyYEDTWFWLCFNYIV-UHFFFAOYSA-N
XLogP0.38
TPSA38.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.11
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

1,2-diethoxyethane;hydrofluoride
CID 175535770
1,2-diethoxyethane;ethene
CID 158825770
sodium;1,2-diethoxyethane;hydride
CID 174903036
1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 88861501
1-(2-ethoxyethoxy)-N-methyl-N-oxidomethanamine
CID 163496721
1,2-diethoxyethane;ethenamine
CID 160675526
bis(1-ethoxy-2-methoxyethane);hydrate
CID 88797439
1,2-diethoxyethane;oxirane
CID 159897663
2-ethoxyethoxyphosphane
CID 153435180
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-methoxyethane
CID 19982973
1,2-dimethoxyethane;1-ethoxy-2-(2-ethoxyethoxy)ethane
CID 159445382
1-ethoxy-2-[2-(isocyanatomethoxy)ethoxy]ethane
CID 102218481

Frequently Asked Questions

What is the IUPAC name of CID 101447150?
The IUPAC name of CID 101447150 (CID 101447150) is not available.
What is the SMILES notation for CID 101447150?
The canonical SMILES for CID 101447150 is CCOCCO[O].
What is the InChIKey of CID 101447150?
The InChIKey is YEDTWFWLCFNYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O3/c1-2-6-3-4-7-5/h2-4H2,1H3.
What are the key properties of CID 101447150?
CID 101447150 has a molecular weight of 105.11 g/mol, XLogP of 0.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101447150 is sourced from PubChem (CID 101447150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).