CID 59269676

C10H20O3 — CID 59269676

IUPAC—
SMILES[CH]CCOCCOCCOCCC
InChIInChI=1S/C10H20O3/c1-3-5-11-7-9-13-10-8-12-6-4-2/h1H,3-10H2,2H3
InChIKeyIMEYZSUCEHKFOA-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.55
Rot. Bonds10

About CID 59269676

CID 59269676 (PubChem CID 59269676) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol.

Molecular Properties

Compound NameCID 59269676
PubChem CID59269676
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name—
SMILES[CH]CCOCCOCCOCCC
InChIInChI=1S/C10H20O3/c1-3-5-11-7-9-13-10-8-12-6-4-2/h1H,3-10H2,2H3
InChIKeyIMEYZSUCEHKFOA-UHFFFAOYSA-N
XLogP1.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-propoxy-3-(3-propoxypropoxy)propane
CID 90943526
ethane;1-(2-propoxyethoxy)butane
CID 164535746
1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 88861501
butane;pentane;1-propoxybutane;1-(2-propoxyethoxy)butane
CID 167680049
ethane;propane;1-propoxypropane
CID 143757970
1-methoxy-2-(2-methoxyethoxy)ethane;1-propoxypropane
CID 160614249
azane;1-propoxybutane
CID 87292575
methane;1-propoxybutane
CID 162202436
pentane;1-propoxypentane
CID 174500651
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 20613004
1-[2-(iodomethoxy)ethoxy]propane
CID 122592069
2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol;1-propoxybutane
CID 175100397

Frequently Asked Questions

What is the IUPAC name of CID 59269676?
The IUPAC name of CID 59269676 (CID 59269676) is not available.
What is the SMILES notation for CID 59269676?
The canonical SMILES for CID 59269676 is [CH]CCOCCOCCOCCC.
What is the InChIKey of CID 59269676?
The InChIKey is IMEYZSUCEHKFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-3-5-11-7-9-13-10-8-12-6-4-2/h1H,3-10H2,2H3.
What are the key properties of CID 59269676?
CID 59269676 has a molecular weight of 188.27 g/mol, XLogP of 1.55, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269676 is sourced from PubChem (CID 59269676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).