1-[(2-methylpropan-2-yl)oxy]cyclohexene

C10H18O — CID 566729

IUPAC1-[(2-methylpropan-2-yl)oxy]cyclohexene
SMILESCC(C)(C)OC1=CCCCC1
InChIInChI=1S/C10H18O/c1-10(2,3)11-9-7-5-4-6-8-9/h7H,4-6,8H2,1-3H3
InChIKeyLYKXVMWCTKYYIF-UHFFFAOYSA-N
MW154.25 g/mol
LogP3.26
Rot. Bonds1

About 1-[(2-methylpropan-2-yl)oxy]cyclohexene

1-[(2-methylpropan-2-yl)oxy]cyclohexene (PubChem CID 566729) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]cyclohexene.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]cyclohexene
PubChem CID566729
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name1-[(2-methylpropan-2-yl)oxy]cyclohexene
SMILESCC(C)(C)OC1=CCCCC1
InChIInChI=1S/C10H18O/c1-10(2,3)11-9-7-5-4-6-8-9/h7H,4-6,8H2,1-3H3
InChIKeyLYKXVMWCTKYYIF-UHFFFAOYSA-N
XLogP3.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Ethoxycyclohexene
CID 224844
1-Propoxycyclohex-1-ene
CID 20071904
1-Butoxycyclohexene
CID 21997072
1-Isopropoxycyclohexene
CID 4366136
2-Methyl-6-pentyl-3,4-dihydro-2h-pyran
CID 85678631
6-Butyl-3,4-dihydro-2H-pyran
CID 12329637
2,2,6-Trimethyl-3,4-dihydro-2H-pyran
CID 13123172
Dicyclohexenyl ether
CID 19362197
Cyclohexenyl-tert.-butylperoxyd
CID 100942595
1-(Tert-butoxy)-2-methylcyclohexene
CID 38566
1-tert-Butoxy-6-Methylcyclohexene
CID 574418
6-pentyl-3,4-dihydro-2H-pyran
CID 10034828

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]cyclohexene?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]cyclohexene (CID 566729) is 1-[(2-methylpropan-2-yl)oxy]cyclohexene.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]cyclohexene?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]cyclohexene is CC(C)(C)OC1=CCCCC1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]cyclohexene?
The InChIKey is LYKXVMWCTKYYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-10(2,3)11-9-7-5-4-6-8-9/h7H,4-6,8H2,1-3H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]cyclohexene?
1-[(2-methylpropan-2-yl)oxy]cyclohexene has a molecular weight of 154.25 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]cyclohexene is sourced from PubChem (CID 566729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).