3,3-dimethylbut-1-enoxymethylcyclohexane

C13H24O — CID 10065874

IUPAC3,3-dimethylbut-1-enoxymethylcyclohexane
SMILESCC(C)(C)C=COCC1CCCCC1
InChIInChI=1S/C13H24O/c1-13(2,3)9-10-14-11-12-7-5-4-6-8-12/h9-10,12H,4-8,11H2,1-3H3
InChIKeyUQCGSBSFRLUNEU-UHFFFAOYSA-N
MW196.33 g/mol
LogP4.14
Rot. Bonds3

About 3,3-dimethylbut-1-enoxymethylcyclohexane

3,3-dimethylbut-1-enoxymethylcyclohexane (PubChem CID 10065874) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 3,3-dimethylbut-1-enoxymethylcyclohexane.

Molecular Properties

Compound Name3,3-dimethylbut-1-enoxymethylcyclohexane
PubChem CID10065874
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name3,3-dimethylbut-1-enoxymethylcyclohexane
SMILESCC(C)(C)C=COCC1CCCCC1
InChIInChI=1S/C13H24O/c1-13(2,3)9-10-14-11-12-7-5-4-6-8-12/h9-10,12H,4-8,11H2,1-3H3
InChIKeyUQCGSBSFRLUNEU-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 54.14
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 3,3-dimethylbut-1-enoxymethylcyclohexane?
The IUPAC name of 3,3-dimethylbut-1-enoxymethylcyclohexane (CID 10065874) is 3,3-dimethylbut-1-enoxymethylcyclohexane.
What is the SMILES notation for 3,3-dimethylbut-1-enoxymethylcyclohexane?
The canonical SMILES for 3,3-dimethylbut-1-enoxymethylcyclohexane is CC(C)(C)C=COCC1CCCCC1.
What is the InChIKey of 3,3-dimethylbut-1-enoxymethylcyclohexane?
The InChIKey is UQCGSBSFRLUNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-13(2,3)9-10-14-11-12-7-5-4-6-8-12/h9-10,12H,4-8,11H2,1-3H3.
What are the key properties of 3,3-dimethylbut-1-enoxymethylcyclohexane?
3,3-dimethylbut-1-enoxymethylcyclohexane has a molecular weight of 196.33 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbut-1-enoxymethylcyclohexane is sourced from PubChem (CID 10065874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).