2-[7-(oxan-2-yloxy)heptoxymethyl]oxan-3-one

C18H32O5 — CID 15097255

IUPAC2-[7-(oxan-2-yloxy)heptoxymethyl]oxan-3-one
SMILESO=C1CCCOC1COCCCCCCCOC1CCCCO1
InChIInChI=1S/C18H32O5/c19-16-9-8-14-21-17(16)15-20-11-5-2-1-3-6-12-22-18-10-4-7-13-23-18/h17-18H,1-15H2
InChIKeyWXEZANMSZKNUDV-UHFFFAOYSA-N
MW328.45 g/mol
LogP3.24
Rot. Bonds11

About 2-[7-(oxan-2-yloxy)heptoxymethyl]oxan-3-one

2-[7-(oxan-2-yloxy)heptoxymethyl]oxan-3-one (PubChem CID 15097255) has the molecular formula C18H32O5 and a molecular weight of 328.45 g/mol. Its IUPAC name is 2-[7-(oxan-2-yloxy)heptoxymethyl]oxan-3-one.

Molecular Properties

Compound Name2-[7-(oxan-2-yloxy)heptoxymethyl]oxan-3-one
PubChem CID15097255
Molecular FormulaC18H32O5
Molecular Weight328.45 g/mol
Exact Mass328.22
IUPAC Name2-[7-(oxan-2-yloxy)heptoxymethyl]oxan-3-one
SMILESO=C1CCCOC1COCCCCCCCOC1CCCCO1
InChIInChI=1S/C18H32O5/c19-16-9-8-14-21-17(16)15-20-11-5-2-1-3-6-12-22-18-10-4-7-13-23-18/h17-18H,1-15H2
InChIKeyWXEZANMSZKNUDV-UHFFFAOYSA-N
XLogP3.24
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
18-(oxan-2-yloxy)octadecylphosphanium iodide
CID 157231904
2-(12-bromododecoxy)oxane
CID 11078592
2-(6-methylheptoxy)oxane
CID 139685112
2-(12-chlorododecoxy)oxane
CID 14014573
2-octacosoxyoxane
CID 11214102
12-(oxan-2-yloxy)dodecan-1-amine
CID 170028710
2-(18-iodooctadecoxy)oxane
CID 86124950
1,3-bis[4-(oxan-2-yloxy)butoxy]propan-2-ol
CID 171403121
1-[4-(oxan-2-yloxy)butyl]pyrrolidin-2-one
CID 10977596
2-[2-(cyclopropylmethoxy)ethoxy]oxane
CID 66652846
2-(14-cyclobutyltetradecoxy)oxane
CID 151611436

Frequently Asked Questions

What is the IUPAC name of 2-[7-(oxan-2-yloxy)heptoxymethyl]oxan-3-one?
The IUPAC name of 2-[7-(oxan-2-yloxy)heptoxymethyl]oxan-3-one (CID 15097255) is 2-[7-(oxan-2-yloxy)heptoxymethyl]oxan-3-one.
What is the SMILES notation for 2-[7-(oxan-2-yloxy)heptoxymethyl]oxan-3-one?
The canonical SMILES for 2-[7-(oxan-2-yloxy)heptoxymethyl]oxan-3-one is O=C1CCCOC1COCCCCCCCOC1CCCCO1.
What is the InChIKey of 2-[7-(oxan-2-yloxy)heptoxymethyl]oxan-3-one?
The InChIKey is WXEZANMSZKNUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O5/c19-16-9-8-14-21-17(16)15-20-11-5-2-1-3-6-12-22-18-10-4-7-13-23-18/h17-18H,1-15H2.
What are the key properties of 2-[7-(oxan-2-yloxy)heptoxymethyl]oxan-3-one?
2-[7-(oxan-2-yloxy)heptoxymethyl]oxan-3-one has a molecular weight of 328.45 g/mol, XLogP of 3.24, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(oxan-2-yloxy)heptoxymethyl]oxan-3-one is sourced from PubChem (CID 15097255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).