1-methyl-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclohexene

C17H32O — CID 166931892

IUPAC1-methyl-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclohexene
SMILESCC1=CCC(CCCCCCOC(C)(C)C)CC1
InChIInChI=1S/C17H32O/c1-15-10-12-16(13-11-15)9-7-5-6-8-14-18-17(2,3)4/h10,16H,5-9,11-14H2,1-4H3
InChIKeyFJZYOJVRJSPDLP-UHFFFAOYSA-N
MW252.44 g/mol
LogP5.50
Rot. Bonds7

About 1-methyl-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclohexene

1-methyl-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclohexene (PubChem CID 166931892) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is 1-methyl-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclohexene.

Molecular Properties

Compound Name1-methyl-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclohexene
PubChem CID166931892
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name1-methyl-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclohexene
SMILESCC1=CCC(CCCCCCOC(C)(C)C)CC1
InChIInChI=1S/C17H32O/c1-15-10-12-16(13-11-15)9-7-5-6-8-14-18-17(2,3)4/h10,16H,5-9,11-14H2,1-4H3
InChIKeyFJZYOJVRJSPDLP-UHFFFAOYSA-N
XLogP5.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.44
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-hex-4-enyl-1-methylcyclohexene
CID 173420371
1-methyl-4-[(4-methylcyclohex-3-en-1-yl)methyl]cyclohexene
CID 23031272
4-[4-(4-heptylcyclohexyl)butyl]-1-[6-[6-[4-[4-(4-heptylcyclohexyl)butyl]cyclohexen-1-yl]hexoxy]hexyl]cyclohexene
CID 139803872
(4-methylcyclohex-3-en-1-yl)methanol
CID 564672
4-[3-(methoxymethyl)heptyl]-1-methylcyclohexene
CID 174197232
1-methyl-4-propylcyclohexene
CID 102055246
4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine
CID 10821871
1-methyl-3-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene
CID 134285425
1-(4-heptylcyclohexen-1-yl)-4-octoxybenzene
CID 57078730
4-[3-(4-hexylcyclohexyl)propyl]-1-[[4-[3-(4-hexylcyclohexyl)propyl]cyclohexen-1-yl]methoxymethyl]cyclohexene
CID 139803814
2-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]ethanol
CID 3016990
1-(4-decylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene
CID 20538384

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclohexene?
The IUPAC name of 1-methyl-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclohexene (CID 166931892) is 1-methyl-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclohexene.
What is the SMILES notation for 1-methyl-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclohexene?
The canonical SMILES for 1-methyl-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclohexene is CC1=CCC(CCCCCCOC(C)(C)C)CC1.
What is the InChIKey of 1-methyl-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclohexene?
The InChIKey is FJZYOJVRJSPDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O/c1-15-10-12-16(13-11-15)9-7-5-6-8-14-18-17(2,3)4/h10,16H,5-9,11-14H2,1-4H3.
What are the key properties of 1-methyl-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclohexene?
1-methyl-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclohexene has a molecular weight of 252.44 g/mol, XLogP of 5.50, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclohexene is sourced from PubChem (CID 166931892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).