6-(oxan-2-yloxy)hexyl 4-hydroxybenzoate

C18H26O5 — CID 19959611

IUPAC6-(oxan-2-yloxy)hexyl 4-hydroxybenzoate
SMILESO=C(OCCCCCCOC1CCCCO1)c1ccc(O)cc1
InChIInChI=1S/C18H26O5/c19-16-10-8-15(9-11-16)18(20)23-14-5-2-1-4-12-21-17-7-3-6-13-22-17/h8-11,17,19H,1-7,12-14H2
InChIKeyAAAHXUNGSTUOQN-UHFFFAOYSA-N
MW322.40 g/mol
LogP3.65
Rot. Bonds9

About 6-(oxan-2-yloxy)hexyl 4-hydroxybenzoate

6-(oxan-2-yloxy)hexyl 4-hydroxybenzoate (PubChem CID 19959611) has the molecular formula C18H26O5 and a molecular weight of 322.40 g/mol. Its IUPAC name is 6-(oxan-2-yloxy)hexyl 4-hydroxybenzoate.

Molecular Properties

Compound Name6-(oxan-2-yloxy)hexyl 4-hydroxybenzoate
PubChem CID19959611
Molecular FormulaC18H26O5
Molecular Weight322.40 g/mol
Exact Mass322.18
IUPAC Name6-(oxan-2-yloxy)hexyl 4-hydroxybenzoate
SMILESO=C(OCCCCCCOC1CCCCO1)c1ccc(O)cc1
InChIInChI=1S/C18H26O5/c19-16-10-8-15(9-11-16)18(20)23-14-5-2-1-4-12-21-17-7-3-6-13-22-17/h8-11,17,19H,1-7,12-14H2
InChIKeyAAAHXUNGSTUOQN-UHFFFAOYSA-N
XLogP3.65
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-(oxan-2-yloxy)octyl benzoate
CID 11551737
6-(4-hydroxybenzoyl)oxyhexyl 4-hydroxybenzoate
CID 19881496
10-(4-hydroxybenzoyl)oxydecyl 4-hydroxybenzoate
CID 3896266
methyl 4-[12-(oxan-2-yloxy)dodecoxy]benzoate
CID 67066837
3-(diethylamino)propyl 4-(oxan-2-yloxymethyl)benzoate
CID 178081024
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
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
14-(oxan-2-yloxy)tetradecanoic acid
CID 54500619
pentadecyl 4-hydroxybenzoate;tetradecyl 4-hydroxybenzoate
CID 161210354
12-(oxan-2-yloxy)dodecan-1-amine
CID 170028710
4-(4-hexoxybutoxy)butyl 4-hydroxybenzoate
CID 54410325

Frequently Asked Questions

What is the IUPAC name of 6-(oxan-2-yloxy)hexyl 4-hydroxybenzoate?
The IUPAC name of 6-(oxan-2-yloxy)hexyl 4-hydroxybenzoate (CID 19959611) is 6-(oxan-2-yloxy)hexyl 4-hydroxybenzoate.
What is the SMILES notation for 6-(oxan-2-yloxy)hexyl 4-hydroxybenzoate?
The canonical SMILES for 6-(oxan-2-yloxy)hexyl 4-hydroxybenzoate is O=C(OCCCCCCOC1CCCCO1)c1ccc(O)cc1.
What is the InChIKey of 6-(oxan-2-yloxy)hexyl 4-hydroxybenzoate?
The InChIKey is AAAHXUNGSTUOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O5/c19-16-10-8-15(9-11-16)18(20)23-14-5-2-1-4-12-21-17-7-3-6-13-22-17/h8-11,17,19H,1-7,12-14H2.
What are the key properties of 6-(oxan-2-yloxy)hexyl 4-hydroxybenzoate?
6-(oxan-2-yloxy)hexyl 4-hydroxybenzoate has a molecular weight of 322.40 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxan-2-yloxy)hexyl 4-hydroxybenzoate is sourced from PubChem (CID 19959611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).