ethoxyethane;hexan-1-ol

C10H24O2 — CID 87247243

IUPACethoxyethane;hexan-1-ol
SMILESCCCCCCO.CCOCC
InChIInChI=1S/C6H14O.C4H10O/c1-2-3-4-5-6-7;1-3-5-4-2/h7H,2-6H2,1H3;3-4H2,1-2H3
InChIKeyQWIKPCPUZGKVHD-UHFFFAOYSA-N
MW176.30 g/mol
LogP2.60
Rot. Bonds6

About ethoxyethane;hexan-1-ol

ethoxyethane;hexan-1-ol (PubChem CID 87247243) has the molecular formula C10H24O2 and a molecular weight of 176.30 g/mol. Its IUPAC name is ethoxyethane;hexan-1-ol.

Molecular Properties

Compound Nameethoxyethane;hexan-1-ol
PubChem CID87247243
Molecular FormulaC10H24O2
Molecular Weight176.30 g/mol
Exact Mass176.18
IUPAC Nameethoxyethane;hexan-1-ol
SMILESCCCCCCO.CCOCC
InChIInChI=1S/C6H14O.C4H10O/c1-2-3-4-5-6-7;1-3-5-4-2/h7H,2-6H2,1H3;3-4H2,1-2H3
InChIKeyQWIKPCPUZGKVHD-UHFFFAOYSA-N
XLogP2.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 ethoxyethane;hexan-1-ol?
The IUPAC name of ethoxyethane;hexan-1-ol (CID 87247243) is ethoxyethane;hexan-1-ol.
What is the SMILES notation for ethoxyethane;hexan-1-ol?
The canonical SMILES for ethoxyethane;hexan-1-ol is CCCCCCO.CCOCC.
What is the InChIKey of ethoxyethane;hexan-1-ol?
The InChIKey is QWIKPCPUZGKVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.C4H10O/c1-2-3-4-5-6-7;1-3-5-4-2/h7H,2-6H2,1H3;3-4H2,1-2H3.
What are the key properties of ethoxyethane;hexan-1-ol?
ethoxyethane;hexan-1-ol has a molecular weight of 176.30 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;hexan-1-ol is sourced from PubChem (CID 87247243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).