2-[4-(4-methylphenyl)pentoxy]oxane

C17H26O2 — CID 13212687

IUPAC2-[4-(4-methylphenyl)pentoxy]oxane
SMILESCc1ccc(C(C)CCCOC2CCCCO2)cc1
InChIInChI=1S/C17H26O2/c1-14-8-10-16(11-9-14)15(2)6-5-13-19-17-7-3-4-12-18-17/h8-11,15,17H,3-7,12-13H2,1-2H3
InChIKeyKXTTZRQEAOAQGE-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.42
Rot. Bonds6

About 2-[4-(4-methylphenyl)pentoxy]oxane

2-[4-(4-methylphenyl)pentoxy]oxane (PubChem CID 13212687) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-[4-(4-methylphenyl)pentoxy]oxane.

Molecular Properties

Compound Name2-[4-(4-methylphenyl)pentoxy]oxane
PubChem CID13212687
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name2-[4-(4-methylphenyl)pentoxy]oxane
SMILESCc1ccc(C(C)CCCOC2CCCCO2)cc1
InChIInChI=1S/C17H26O2/c1-14-8-10-16(11-9-14)15(2)6-5-13-19-17-7-3-4-12-18-17/h8-11,15,17H,3-7,12-13H2,1-2H3
InChIKeyKXTTZRQEAOAQGE-UHFFFAOYSA-N
XLogP4.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.42
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-[3-(3,4-dichlorophenyl)butoxy]oxane
CID 57302396
2-(6-methylheptoxy)oxane
CID 139685112
8-(oxan-2-yloxy)octyl 4-methylbenzenesulfonate
CID 11361125
8-[8-(oxan-2-yloxy)octoxy]octyl 4-methylbenzenesulfonate
CID 10815638
2-[2-[3-(oxan-2-yloxy)propoxy]ethoxy]ethyl 4-methylbenzenesulfonate
CID 177266304
bis(1-butan-2-yl-4-methylbenzene);2-(4-butan-2-ylphenoxy)oxane;(4-butan-2-ylphenoxy)-trimethylsilane;2-(2-propan-2-yloxyethoxy)propane
CID 54349252
(2S)-2-(3-chloropropoxy)oxane
CID 36690971
2-[(15S)-15-methylpentacosoxy]oxane
CID 71379039
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-[4,4-bis[di(propan-2-yloxy)phosphoryl]butoxy]oxane
CID 91259156
2-[(3S,7R)-3,7,11-trimethyldodecoxy]oxane
CID 70570325
2-(12-chlorododecoxy)oxane
CID 14014573

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenyl)pentoxy]oxane?
The IUPAC name of 2-[4-(4-methylphenyl)pentoxy]oxane (CID 13212687) is 2-[4-(4-methylphenyl)pentoxy]oxane.
What is the SMILES notation for 2-[4-(4-methylphenyl)pentoxy]oxane?
The canonical SMILES for 2-[4-(4-methylphenyl)pentoxy]oxane is Cc1ccc(C(C)CCCOC2CCCCO2)cc1.
What is the InChIKey of 2-[4-(4-methylphenyl)pentoxy]oxane?
The InChIKey is KXTTZRQEAOAQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-14-8-10-16(11-9-14)15(2)6-5-13-19-17-7-3-4-12-18-17/h8-11,15,17H,3-7,12-13H2,1-2H3.
What are the key properties of 2-[4-(4-methylphenyl)pentoxy]oxane?
2-[4-(4-methylphenyl)pentoxy]oxane has a molecular weight of 262.39 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphenyl)pentoxy]oxane is sourced from PubChem (CID 13212687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).