2-(1-ethoxyethenyl)-1,1,3,3-tetramethylcyclohexane

C14H26O — CID 69492171

IUPAC2-(1-ethoxyethenyl)-1,1,3,3-tetramethylcyclohexane
SMILESC=C(OCC)C1C(C)(C)CCCC1(C)C
InChIInChI=1S/C14H26O/c1-7-15-11(2)12-13(3,4)9-8-10-14(12,5)6/h12H,2,7-10H2,1,3-6H3
InChIKeyRASGHHMMROXKDK-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.39
Rot. Bonds3

About 2-(1-ethoxyethenyl)-1,1,3,3-tetramethylcyclohexane

2-(1-ethoxyethenyl)-1,1,3,3-tetramethylcyclohexane (PubChem CID 69492171) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-(1-ethoxyethenyl)-1,1,3,3-tetramethylcyclohexane.

Molecular Properties

Compound Name2-(1-ethoxyethenyl)-1,1,3,3-tetramethylcyclohexane
PubChem CID69492171
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name2-(1-ethoxyethenyl)-1,1,3,3-tetramethylcyclohexane
SMILESC=C(OCC)C1C(C)(C)CCCC1(C)C
InChIInChI=1S/C14H26O/c1-7-15-11(2)12-13(3,4)9-8-10-14(12,5)6/h12H,2,7-10H2,1,3-6H3
InChIKeyRASGHHMMROXKDK-UHFFFAOYSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethenyl)-1,1,3,3-tetramethylcyclohexane?
The IUPAC name of 2-(1-ethoxyethenyl)-1,1,3,3-tetramethylcyclohexane (CID 69492171) is 2-(1-ethoxyethenyl)-1,1,3,3-tetramethylcyclohexane.
What is the SMILES notation for 2-(1-ethoxyethenyl)-1,1,3,3-tetramethylcyclohexane?
The canonical SMILES for 2-(1-ethoxyethenyl)-1,1,3,3-tetramethylcyclohexane is C=C(OCC)C1C(C)(C)CCCC1(C)C.
What is the InChIKey of 2-(1-ethoxyethenyl)-1,1,3,3-tetramethylcyclohexane?
The InChIKey is RASGHHMMROXKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-7-15-11(2)12-13(3,4)9-8-10-14(12,5)6/h12H,2,7-10H2,1,3-6H3.
What are the key properties of 2-(1-ethoxyethenyl)-1,1,3,3-tetramethylcyclohexane?
2-(1-ethoxyethenyl)-1,1,3,3-tetramethylcyclohexane has a molecular weight of 210.36 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethenyl)-1,1,3,3-tetramethylcyclohexane is sourced from PubChem (CID 69492171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).