1-ethoxypentane

C7H15O- — CID 165416356

IUPAC1-ethoxypentane
SMILES[CH2-]COCCCCC
InChIInChI=1S/C7H15O/c1-3-5-6-7-8-4-2/h2-7H2,1H3/q-1
InChIKeyRMXIGSMPDVTGBL-UHFFFAOYSA-N
MW115.20 g/mol
LogP2.03
Rot. Bonds5

About 1-ethoxypentane

1-ethoxypentane (PubChem CID 165416356) has the molecular formula C7H15O- and a molecular weight of 115.20 g/mol. Its IUPAC name is 1-ethoxypentane.

Molecular Properties

Compound Name1-ethoxypentane
PubChem CID165416356
Molecular FormulaC7H15O-
Molecular Weight115.20 g/mol
Exact Mass115.11
IUPAC Name1-ethoxypentane
SMILES[CH2-]COCCCCC
InChIInChI=1S/C7H15O/c1-3-5-6-7-8-4-2/h2-7H2,1H3/q-1
InChIKeyRMXIGSMPDVTGBL-UHFFFAOYSA-N
XLogP2.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.20
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Tetrahydropyran
CID 8894
Ether, methyl pentyl
CID 69412
Pentyl ether
CID 12743
Ethyl butyl ether
CID 12355
Amyl ethyl ether
CID 87370
Butylpentyl ether
CID 29161
1-Propoxybutane
CID 137814
Pentyl propyl ether
CID 140408
1-Fluoro-5-methoxypentane
CID 9770
1-(Pentyloxy)pentane--niobium (1/1)
CID 57346431
Sodium pentylate
CID 23675634
4-Fluoro-1-methoxypentane
CID 154716146

Frequently Asked Questions

What is the IUPAC name of 1-ethoxypentane?
The IUPAC name of 1-ethoxypentane (CID 165416356) is 1-ethoxypentane.
What is the SMILES notation for 1-ethoxypentane?
The canonical SMILES for 1-ethoxypentane is [CH2-]COCCCCC.
What is the InChIKey of 1-ethoxypentane?
The InChIKey is RMXIGSMPDVTGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O/c1-3-5-6-7-8-4-2/h2-7H2,1H3/q-1.
What are the key properties of 1-ethoxypentane?
1-ethoxypentane has a molecular weight of 115.20 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypentane is sourced from PubChem (CID 165416356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).