1-[1-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene

C15H26O — CID 66772825

IUPAC1-[1-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene
SMILESCCCCCC(OC(C)(C)C)C1=CC=CC1
InChIInChI=1S/C15H26O/c1-5-6-7-12-14(16-15(2,3)4)13-10-8-9-11-13/h8-10,14H,5-7,11-12H2,1-4H3
InChIKeyUWBNGYQFAUPUAR-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.64
Rot. Bonds6

About 1-[1-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene

1-[1-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene (PubChem CID 66772825) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 1-[1-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene.

Molecular Properties

Compound Name1-[1-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene
PubChem CID66772825
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name1-[1-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene
SMILESCCCCCC(OC(C)(C)C)C1=CC=CC1
InChIInChI=1S/C15H26O/c1-5-6-7-12-14(16-15(2,3)4)13-10-8-9-11-13/h8-10,14H,5-7,11-12H2,1-4H3
InChIKeyUWBNGYQFAUPUAR-UHFFFAOYSA-N
XLogP4.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopenta-1,3-dien-1-yltridecan-1-ol
CID 23569005
1-(1-cyclopenta-1,3-dien-1-ylbutyl)cyclopenta-1,3-diene;zirconium
CID 173316758
19-[(2-methylpropan-2-yl)oxy]heptatriacontane
CID 164814152
1-nonoxycyclopenta-1,3-diene
CID 175032458
methyl-[1-[(2-methylpropan-2-yl)oxy]hexyl]silane
CID 175129970
tris[1-(2,4-ditert-butylphenyl)octyl] phosphite
CID 87455418
cyclopenta-1,3-dien-1-yl-[(2-methylpropan-2-yl)oxy]silane
CID 173364041
2-dodecylcyclohexa-2,4-dien-1-one
CID 67242376
2,2-dimethylpropane;ethane;2-methylheptane
CID 143493212
2,2-di(cyclopenta-1,3-dien-1-yl)ethanol
CID 22274817
3-ethyl-1-pentan-2-ylcyclohepta-1,3,5-triene
CID 142904411
1-dodecoxyhexylbenzene
CID 174774790

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene?
The IUPAC name of 1-[1-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene (CID 66772825) is 1-[1-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene.
What is the SMILES notation for 1-[1-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene?
The canonical SMILES for 1-[1-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene is CCCCCC(OC(C)(C)C)C1=CC=CC1.
What is the InChIKey of 1-[1-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene?
The InChIKey is UWBNGYQFAUPUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-5-6-7-12-14(16-15(2,3)4)13-10-8-9-11-13/h8-10,14H,5-7,11-12H2,1-4H3.
What are the key properties of 1-[1-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene?
1-[1-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene has a molecular weight of 222.37 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene is sourced from PubChem (CID 66772825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).