1-ethoxy-4-pentylcyclohexane

C13H26O — CID 10241855

IUPAC1-ethoxy-4-pentylcyclohexane
SMILESCCCCCC1CCC(OCC)CC1
InChIInChI=1S/C13H26O/c1-3-5-6-7-12-8-10-13(11-9-12)14-4-2/h12-13H,3-11H2,1-2H3
InChIKeyXQKTWJYTODVNMW-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.16
Rot. Bonds6

About 1-ethoxy-4-pentylcyclohexane

1-ethoxy-4-pentylcyclohexane (PubChem CID 10241855) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-ethoxy-4-pentylcyclohexane.

Molecular Properties

Compound Name1-ethoxy-4-pentylcyclohexane
PubChem CID10241855
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name1-ethoxy-4-pentylcyclohexane
SMILESCCCCCC1CCC(OCC)CC1
InChIInChI=1S/C13H26O/c1-3-5-6-7-12-8-10-13(11-9-12)14-4-2/h12-13H,3-11H2,1-2H3
InChIKeyXQKTWJYTODVNMW-UHFFFAOYSA-N
XLogP4.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.16
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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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-pentylcyclohexane?
The IUPAC name of 1-ethoxy-4-pentylcyclohexane (CID 10241855) is 1-ethoxy-4-pentylcyclohexane.
What is the SMILES notation for 1-ethoxy-4-pentylcyclohexane?
The canonical SMILES for 1-ethoxy-4-pentylcyclohexane is CCCCCC1CCC(OCC)CC1.
What is the InChIKey of 1-ethoxy-4-pentylcyclohexane?
The InChIKey is XQKTWJYTODVNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-3-5-6-7-12-8-10-13(11-9-12)14-4-2/h12-13H,3-11H2,1-2H3.
What are the key properties of 1-ethoxy-4-pentylcyclohexane?
1-ethoxy-4-pentylcyclohexane has a molecular weight of 198.35 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-pentylcyclohexane is sourced from PubChem (CID 10241855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).