5-butoxy-1,1,3,3-tetramethylcyclohexane

C14H28O — CID 58663904

IUPAC5-butoxy-1,1,3,3-tetramethylcyclohexane
SMILESCCCCOC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C14H28O/c1-6-7-8-15-12-9-13(2,3)11-14(4,5)10-12/h12H,6-11H2,1-5H3
InChIKeyNIXPUGVJPGZLJP-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.41
Rot. Bonds4

About 5-butoxy-1,1,3,3-tetramethylcyclohexane

5-butoxy-1,1,3,3-tetramethylcyclohexane (PubChem CID 58663904) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 5-butoxy-1,1,3,3-tetramethylcyclohexane.

Molecular Properties

Compound Name5-butoxy-1,1,3,3-tetramethylcyclohexane
PubChem CID58663904
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name5-butoxy-1,1,3,3-tetramethylcyclohexane
SMILESCCCCOC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C14H28O/c1-6-7-8-15-12-9-13(2,3)11-14(4,5)10-12/h12H,6-11H2,1-5H3
InChIKeyNIXPUGVJPGZLJP-UHFFFAOYSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.41
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 5-butoxy-1,1,3,3-tetramethylcyclohexane?
The IUPAC name of 5-butoxy-1,1,3,3-tetramethylcyclohexane (CID 58663904) is 5-butoxy-1,1,3,3-tetramethylcyclohexane.
What is the SMILES notation for 5-butoxy-1,1,3,3-tetramethylcyclohexane?
The canonical SMILES for 5-butoxy-1,1,3,3-tetramethylcyclohexane is CCCCOC1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 5-butoxy-1,1,3,3-tetramethylcyclohexane?
The InChIKey is NIXPUGVJPGZLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-6-7-8-15-12-9-13(2,3)11-14(4,5)10-12/h12H,6-11H2,1-5H3.
What are the key properties of 5-butoxy-1,1,3,3-tetramethylcyclohexane?
5-butoxy-1,1,3,3-tetramethylcyclohexane has a molecular weight of 212.38 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-1,1,3,3-tetramethylcyclohexane is sourced from PubChem (CID 58663904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).