1-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexene

C14H24O — CID 139902219

IUPAC1-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexene
SMILESC=C(OCC)C1=CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C14H24O/c1-7-15-11(2)12-8-13(3,4)10-14(5,6)9-12/h8H,2,7,9-10H2,1,3-6H3
InChIKeyDLTNBUAPAGFRHA-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.31
Rot. Bonds3

About 1-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexene

1-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexene (PubChem CID 139902219) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 1-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexene.

Molecular Properties

Compound Name1-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexene
PubChem CID139902219
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name1-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexene
SMILESC=C(OCC)C1=CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C14H24O/c1-7-15-11(2)12-8-13(3,4)10-14(5,6)9-12/h8H,2,7,9-10H2,1,3-6H3
InChIKeyDLTNBUAPAGFRHA-UHFFFAOYSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.31
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 1-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexene?
The IUPAC name of 1-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexene (CID 139902219) is 1-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexene.
What is the SMILES notation for 1-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexene?
The canonical SMILES for 1-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexene is C=C(OCC)C1=CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 1-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexene?
The InChIKey is DLTNBUAPAGFRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-7-15-11(2)12-8-13(3,4)10-14(5,6)9-12/h8H,2,7,9-10H2,1,3-6H3.
What are the key properties of 1-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexene?
1-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexene has a molecular weight of 208.34 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexene is sourced from PubChem (CID 139902219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).