8-(oxan-2-yloxy)octyl benzoate

C20H30O4 — CID 11551737

IUPAC8-(oxan-2-yloxy)octyl benzoate
SMILESO=C(OCCCCCCCCOC1CCCCO1)c1ccccc1
InChIInChI=1S/C20H30O4/c21-20(18-12-6-5-7-13-18)24-17-10-4-2-1-3-9-15-22-19-14-8-11-16-23-19/h5-7,12-13,19H,1-4,8-11,14-17H2
InChIKeyKOHQBBSRFMFOIM-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.73
Rot. Bonds11

About 8-(oxan-2-yloxy)octyl benzoate

8-(oxan-2-yloxy)octyl benzoate (PubChem CID 11551737) has the molecular formula C20H30O4 and a molecular weight of 334.46 g/mol. Its IUPAC name is 8-(oxan-2-yloxy)octyl benzoate.

Molecular Properties

Compound Name8-(oxan-2-yloxy)octyl benzoate
PubChem CID11551737
Molecular FormulaC20H30O4
Molecular Weight334.46 g/mol
Exact Mass334.21
IUPAC Name8-(oxan-2-yloxy)octyl benzoate
SMILESO=C(OCCCCCCCCOC1CCCCO1)c1ccccc1
InChIInChI=1S/C20H30O4/c21-20(18-12-6-5-7-13-18)24-17-10-4-2-1-3-9-15-22-19-14-8-11-16-23-19/h5-7,12-13,19H,1-4,8-11,14-17H2
InChIKeyKOHQBBSRFMFOIM-UHFFFAOYSA-N
XLogP4.73
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(oxan-2-yloxy)hexyl 4-hydroxybenzoate
CID 19959611
phenyl 4-(oxan-2-yloxy)butanoate
CID 86032233
methyl 4-[12-(oxan-2-yloxy)dodecoxy]benzoate
CID 67066837
7-(oxan-2-yloxy)-1-phenylheptan-3-one
CID 14472634
14-(oxan-2-yloxy)tetradecanoic acid
CID 54500619
bis[8-(oxan-2-yloxy)octyl] 5-[(2-methylpropan-2-yl)oxycarbonylamino]benzene-1,3-dicarboxylate
CID 10941543
6-(oxan-2-yloxy)hexyl 4-(5,12-dioxotetracen-1-yl)oxybenzoate
CID 22075885
6-(oxan-2-yloxy)hexyl 4-[12-[4-[6-(oxan-2-yloxy)hexoxycarbonyl]phenoxy]-6,11-dioxo-2-phenylsulfanyltetracen-5-yl]oxybenzoate
CID 19959612
2-[4-(oxan-2-yloxy)butoxy]benzoate
CID 22152020
benzyl N-[5-(oxan-2-yloxy)pentyl]carbamate;5-(oxan-2-yloxy)pentan-1-amine
CID 175930994
2-[11-[4-(4-phenylphenyl)phenyl]undecoxy]oxane
CID 86055226
2-(oxan-2-yloxy)ethyl 3-hydroxynaphthalene-2-carboxylate
CID 119040609

Frequently Asked Questions

What is the IUPAC name of 8-(oxan-2-yloxy)octyl benzoate?
The IUPAC name of 8-(oxan-2-yloxy)octyl benzoate (CID 11551737) is 8-(oxan-2-yloxy)octyl benzoate.
What is the SMILES notation for 8-(oxan-2-yloxy)octyl benzoate?
The canonical SMILES for 8-(oxan-2-yloxy)octyl benzoate is O=C(OCCCCCCCCOC1CCCCO1)c1ccccc1.
What is the InChIKey of 8-(oxan-2-yloxy)octyl benzoate?
The InChIKey is KOHQBBSRFMFOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O4/c21-20(18-12-6-5-7-13-18)24-17-10-4-2-1-3-9-15-22-19-14-8-11-16-23-19/h5-7,12-13,19H,1-4,8-11,14-17H2.
What are the key properties of 8-(oxan-2-yloxy)octyl benzoate?
8-(oxan-2-yloxy)octyl benzoate has a molecular weight of 334.46 g/mol, XLogP of 4.73, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(oxan-2-yloxy)octyl benzoate is sourced from PubChem (CID 11551737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).