4-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexen-1-ol

C14H24O2 — CID 141011254

IUPAC4-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexen-1-ol
SMILESC=C(OCC)C1C(C)(C)C=C(O)CC1(C)C
InChIInChI=1S/C14H24O2/c1-7-16-10(2)12-13(3,4)8-11(15)9-14(12,5)6/h8,12,15H,2,7,9H2,1,3-6H3
InChIKeyVQLDXSGJXROINJ-UHFFFAOYSA-N
MW224.34 g/mol
LogP4.05
Rot. Bonds3

About 4-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexen-1-ol

4-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexen-1-ol (PubChem CID 141011254) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 4-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexen-1-ol.

Molecular Properties

Compound Name4-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexen-1-ol
PubChem CID141011254
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name4-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexen-1-ol
SMILESC=C(OCC)C1C(C)(C)C=C(O)CC1(C)C
InChIInChI=1S/C14H24O2/c1-7-16-10(2)12-13(3,4)8-11(15)9-14(12,5)6/h8,12,15H,2,7,9H2,1,3-6H3
InChIKeyVQLDXSGJXROINJ-UHFFFAOYSA-N
XLogP4.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexen-1-ol?
The IUPAC name of 4-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexen-1-ol (CID 141011254) is 4-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexen-1-ol.
What is the SMILES notation for 4-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexen-1-ol?
The canonical SMILES for 4-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexen-1-ol is C=C(OCC)C1C(C)(C)C=C(O)CC1(C)C.
What is the InChIKey of 4-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexen-1-ol?
The InChIKey is VQLDXSGJXROINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-7-16-10(2)12-13(3,4)8-11(15)9-14(12,5)6/h8,12,15H,2,7,9H2,1,3-6H3.
What are the key properties of 4-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexen-1-ol?
4-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexen-1-ol has a molecular weight of 224.34 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexen-1-ol is sourced from PubChem (CID 141011254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).