2-(2-methoxyethoxy)-1,1,3,3,5-pentamethylcyclohexane

C14H28O2 — CID 20692133

IUPAC2-(2-methoxyethoxy)-1,1,3,3,5-pentamethylcyclohexane
SMILESCOCCOC1C(C)(C)CC(C)CC1(C)C
InChIInChI=1S/C14H28O2/c1-11-9-13(2,3)12(14(4,5)10-11)16-8-7-15-6/h11-12H,7-10H2,1-6H3
InChIKeyQKSUMLMQCYHSQY-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.50
Rot. Bonds4

About 2-(2-methoxyethoxy)-1,1,3,3,5-pentamethylcyclohexane

2-(2-methoxyethoxy)-1,1,3,3,5-pentamethylcyclohexane (PubChem CID 20692133) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-1,1,3,3,5-pentamethylcyclohexane.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-1,1,3,3,5-pentamethylcyclohexane
PubChem CID20692133
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name2-(2-methoxyethoxy)-1,1,3,3,5-pentamethylcyclohexane
SMILESCOCCOC1C(C)(C)CC(C)CC1(C)C
InChIInChI=1S/C14H28O2/c1-11-9-13(2,3)12(14(4,5)10-11)16-8-7-15-6/h11-12H,7-10H2,1-6H3
InChIKeyQKSUMLMQCYHSQY-UHFFFAOYSA-N
XLogP3.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
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 2-(2-methoxyethoxy)-1,1,3,3,5-pentamethylcyclohexane?
The IUPAC name of 2-(2-methoxyethoxy)-1,1,3,3,5-pentamethylcyclohexane (CID 20692133) is 2-(2-methoxyethoxy)-1,1,3,3,5-pentamethylcyclohexane.
What is the SMILES notation for 2-(2-methoxyethoxy)-1,1,3,3,5-pentamethylcyclohexane?
The canonical SMILES for 2-(2-methoxyethoxy)-1,1,3,3,5-pentamethylcyclohexane is COCCOC1C(C)(C)CC(C)CC1(C)C.
What is the InChIKey of 2-(2-methoxyethoxy)-1,1,3,3,5-pentamethylcyclohexane?
The InChIKey is QKSUMLMQCYHSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-11-9-13(2,3)12(14(4,5)10-11)16-8-7-15-6/h11-12H,7-10H2,1-6H3.
What are the key properties of 2-(2-methoxyethoxy)-1,1,3,3,5-pentamethylcyclohexane?
2-(2-methoxyethoxy)-1,1,3,3,5-pentamethylcyclohexane has a molecular weight of 228.38 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-1,1,3,3,5-pentamethylcyclohexane is sourced from PubChem (CID 20692133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).