CID 57466392

C6H13O — CID 57466392

IUPAC—
SMILESC[CH]CCCOC
InChIInChI=1S/C6H13O/c1-3-4-5-6-7-2/h3H,4-6H2,1-2H3
InChIKeyUYLCQBQPSPATHH-UHFFFAOYSA-N
MW101.17 g/mol
LogP1.64
Rot. Bonds4

About CID 57466392

CID 57466392 (PubChem CID 57466392) has the molecular formula C6H13O and a molecular weight of 101.17 g/mol.

Molecular Properties

Compound NameCID 57466392
PubChem CID57466392
Molecular FormulaC6H13O
Molecular Weight101.17 g/mol
Exact Mass101.10
IUPAC Name—
SMILESC[CH]CCCOC
InChIInChI=1S/C6H13O/c1-3-4-5-6-7-2/h3H,4-6H2,1-2H3
InChIKeyUYLCQBQPSPATHH-UHFFFAOYSA-N
XLogP1.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.17
LogP ≤ 51.64
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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Related Compounds

Ether, methyl pentyl
CID 69412
Hexyl methyl ether
CID 78484
Butyl methyl ether
CID 12338
Pentyl ether
CID 12743
Amyl ethyl ether
CID 87370
Butylpentyl ether
CID 29161
Pentyl propyl ether
CID 140408
2-Methoxypentane
CID 522287
1-Fluoro-5-methoxypentane
CID 9770
Sodium pentylate
CID 23675634
4-Fluoro-1-methoxypentane
CID 154716146
Chloromethyl pentyl ether
CID 12252867

Frequently Asked Questions

What is the IUPAC name of CID 57466392?
The IUPAC name of CID 57466392 (CID 57466392) is not available.
What is the SMILES notation for CID 57466392?
The canonical SMILES for CID 57466392 is C[CH]CCCOC.
What is the InChIKey of CID 57466392?
The InChIKey is UYLCQBQPSPATHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O/c1-3-4-5-6-7-2/h3H,4-6H2,1-2H3.
What are the key properties of CID 57466392?
CID 57466392 has a molecular weight of 101.17 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57466392 is sourced from PubChem (CID 57466392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).