4-(2-methoxypropan-2-yl)cyclohexene

C10H18O — CID 58385669

IUPAC4-(2-methoxypropan-2-yl)cyclohexene
SMILESCOC(C)(C)C1CC=CCC1
InChIInChI=1S/C10H18O/c1-10(2,11-3)9-7-5-4-6-8-9/h4-5,9H,6-8H2,1-3H3
InChIKeyYGVJDHUPMITXRD-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.77
Rot. Bonds2

About 4-(2-methoxypropan-2-yl)cyclohexene

4-(2-methoxypropan-2-yl)cyclohexene (PubChem CID 58385669) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 4-(2-methoxypropan-2-yl)cyclohexene.

Molecular Properties

Compound Name4-(2-methoxypropan-2-yl)cyclohexene
PubChem CID58385669
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name4-(2-methoxypropan-2-yl)cyclohexene
SMILESCOC(C)(C)C1CC=CCC1
InChIInChI=1S/C10H18O/c1-10(2,11-3)9-7-5-4-6-8-9/h4-5,9H,6-8H2,1-3H3
InChIKeyYGVJDHUPMITXRD-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxypropan-2-yl)cyclohexene?
The IUPAC name of 4-(2-methoxypropan-2-yl)cyclohexene (CID 58385669) is 4-(2-methoxypropan-2-yl)cyclohexene.
What is the SMILES notation for 4-(2-methoxypropan-2-yl)cyclohexene?
The canonical SMILES for 4-(2-methoxypropan-2-yl)cyclohexene is COC(C)(C)C1CC=CCC1.
What is the InChIKey of 4-(2-methoxypropan-2-yl)cyclohexene?
The InChIKey is YGVJDHUPMITXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-10(2,11-3)9-7-5-4-6-8-9/h4-5,9H,6-8H2,1-3H3.
What are the key properties of 4-(2-methoxypropan-2-yl)cyclohexene?
4-(2-methoxypropan-2-yl)cyclohexene has a molecular weight of 154.25 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxypropan-2-yl)cyclohexene is sourced from PubChem (CID 58385669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).