2-[(2-methyl-5-pentylcyclopenta-2,4-dien-1-yl)methoxy]oxane

C17H28O2 — CID 102158678

IUPAC2-[(2-methyl-5-pentylcyclopenta-2,4-dien-1-yl)methoxy]oxane
SMILESCCCCCC1=CC=C(C)C1COC1CCCCO1
InChIInChI=1S/C17H28O2/c1-3-4-5-8-15-11-10-14(2)16(15)13-19-17-9-6-7-12-18-17/h10-11,16-17H,3-9,12-13H2,1-2H3
InChIKeyYRGBSGIFZAQHDC-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.61
Rot. Bonds7

About 2-[(2-methyl-5-pentylcyclopenta-2,4-dien-1-yl)methoxy]oxane

2-[(2-methyl-5-pentylcyclopenta-2,4-dien-1-yl)methoxy]oxane (PubChem CID 102158678) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-[(2-methyl-5-pentylcyclopenta-2,4-dien-1-yl)methoxy]oxane.

Molecular Properties

Compound Name2-[(2-methyl-5-pentylcyclopenta-2,4-dien-1-yl)methoxy]oxane
PubChem CID102158678
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name2-[(2-methyl-5-pentylcyclopenta-2,4-dien-1-yl)methoxy]oxane
SMILESCCCCCC1=CC=C(C)C1COC1CCCCO1
InChIInChI=1S/C17H28O2/c1-3-4-5-8-15-11-10-14(2)16(15)13-19-17-9-6-7-12-18-17/h10-11,16-17H,3-9,12-13H2,1-2H3
InChIKeyYRGBSGIFZAQHDC-UHFFFAOYSA-N
XLogP4.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-octacosoxyoxane
CID 11214102
2-[10-(2-butylcyclopropen-1-yl)decoxy]oxane
CID 10688292
3-(oxan-2-yloxymethyl)-5-pentyl-1,2-oxazole
CID 66952939
(2S)-2-tridec-6-ynoxyoxane
CID 124565996
(2R)-2-[(E)-dodec-5-enoxy]oxane
CID 125486255
2-[(6Z,12Z)-octadeca-6,12-dienoxy]oxane
CID 163386037
2-(2-hexylphenoxy)oxane
CID 70186744
2-[2-heptyl-5,6-dimethoxy-3-methyl-4-(oxan-2-yloxy)phenoxy]oxane
CID 162470187
2-[(15S)-15-methylpentacosoxy]oxane
CID 71379039
2-[(E)-dec-3-enoxy]oxane
CID 15649194
3-methylidene-4-(oxan-2-yloxymethyl)-5-pentyloxolan-2-one
CID 10708054
2-[2-[(1S,2R)-2-dodecyl-3-methylidenecyclopropyl]ethoxy]oxane
CID 67908197

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-5-pentylcyclopenta-2,4-dien-1-yl)methoxy]oxane?
The IUPAC name of 2-[(2-methyl-5-pentylcyclopenta-2,4-dien-1-yl)methoxy]oxane (CID 102158678) is 2-[(2-methyl-5-pentylcyclopenta-2,4-dien-1-yl)methoxy]oxane.
What is the SMILES notation for 2-[(2-methyl-5-pentylcyclopenta-2,4-dien-1-yl)methoxy]oxane?
The canonical SMILES for 2-[(2-methyl-5-pentylcyclopenta-2,4-dien-1-yl)methoxy]oxane is CCCCCC1=CC=C(C)C1COC1CCCCO1.
What is the InChIKey of 2-[(2-methyl-5-pentylcyclopenta-2,4-dien-1-yl)methoxy]oxane?
The InChIKey is YRGBSGIFZAQHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-3-4-5-8-15-11-10-14(2)16(15)13-19-17-9-6-7-12-18-17/h10-11,16-17H,3-9,12-13H2,1-2H3.
What are the key properties of 2-[(2-methyl-5-pentylcyclopenta-2,4-dien-1-yl)methoxy]oxane?
2-[(2-methyl-5-pentylcyclopenta-2,4-dien-1-yl)methoxy]oxane has a molecular weight of 264.41 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-5-pentylcyclopenta-2,4-dien-1-yl)methoxy]oxane is sourced from PubChem (CID 102158678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).