2-naphthalen-2-yl-5-[5-(5-naphthalen-2-yloxolan-2-yl)pentyl]oxolane

C33H36O2 — CID 158146426

IUPAC2-naphthalen-2-yl-5-[5-(5-naphthalen-2-yloxolan-2-yl)pentyl]oxolane
SMILESc1ccc2cc(C3CCC(CCCCCC4CCC(c5ccc6ccccc6c5)O4)O3)ccc2c1
InChIInChI=1S/C33H36O2/c1(2-12-30-18-20-32(34-30)28-16-14-24-8-4-6-10-26(24)22-28)3-13-31-19-21-33(35-31)29-17-15-25-9-5-7-11-27(25)23-29/h4-11,14-17,22-23,30-33H,1-3,12-13,18-21H2
InChIKeyFUONLTVJLUSFMY-UHFFFAOYSA-N
MW464.65 g/mol
LogP9.08
Rot. Bonds8

About 2-naphthalen-2-yl-5-[5-(5-naphthalen-2-yloxolan-2-yl)pentyl]oxolane

2-naphthalen-2-yl-5-[5-(5-naphthalen-2-yloxolan-2-yl)pentyl]oxolane (PubChem CID 158146426) has the molecular formula C33H36O2 and a molecular weight of 464.65 g/mol. Its IUPAC name is 2-naphthalen-2-yl-5-[5-(5-naphthalen-2-yloxolan-2-yl)pentyl]oxolane.

Molecular Properties

Compound Name2-naphthalen-2-yl-5-[5-(5-naphthalen-2-yloxolan-2-yl)pentyl]oxolane
PubChem CID158146426
Molecular FormulaC33H36O2
Molecular Weight464.65 g/mol
Exact Mass464.27
IUPAC Name2-naphthalen-2-yl-5-[5-(5-naphthalen-2-yloxolan-2-yl)pentyl]oxolane
SMILESc1ccc2cc(C3CCC(CCCCCC4CCC(c5ccc6ccccc6c5)O4)O3)ccc2c1
InChIInChI=1S/C33H36O2/c1(2-12-30-18-20-32(34-30)28-16-14-24-8-4-6-10-26(24)22-28)3-13-31-19-21-33(35-31)29-17-15-25-9-5-7-11-27(25)23-29/h4-11,14-17,22-23,30-33H,1-3,12-13,18-21H2
InChIKeyFUONLTVJLUSFMY-UHFFFAOYSA-N
XLogP9.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.65
LogP ≤ 59.08
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

[(2S,5S)-5-naphthalen-2-yloxolan-2-yl]methanamine
CID 118052996
(5-naphthalen-2-yloxolan-2-yl)methanamine
CID 11637187
(2R,5R)-2-naphthalen-2-yl-5-phenyloxolane
CID 101344860
(2R)-2-naphthalen-2-yloxirane
CID 10877557
(2S,4R,6R)-2-naphthalen-2-yl-6-phenyloxan-4-ol
CID 101086399
(2R)-2-anthracen-2-yloxirane
CID 129361736
(2S,3R)-2-methyl-3-naphthalen-2-yloxirane
CID 11321352
(2S,4R)-4-fluoro-2-naphthalen-2-yloxane
CID 155927148
(2S,5R)-2-(bromomethyl)-5-phenyloxolane
CID 23247977
(2S,5S)-2-(iodomethyl)-5-phenyloxolane
CID 101241677
(2S,5R)-2-ethyl-5-phenyloxolane
CID 102280065
(2R,5S)-2-(hydroxymethyl)-5-(6-naphthalen-2-ylnaphthalen-2-yl)oxolan-3-ol
CID 71067480

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-5-[5-(5-naphthalen-2-yloxolan-2-yl)pentyl]oxolane?
The IUPAC name of 2-naphthalen-2-yl-5-[5-(5-naphthalen-2-yloxolan-2-yl)pentyl]oxolane (CID 158146426) is 2-naphthalen-2-yl-5-[5-(5-naphthalen-2-yloxolan-2-yl)pentyl]oxolane.
What is the SMILES notation for 2-naphthalen-2-yl-5-[5-(5-naphthalen-2-yloxolan-2-yl)pentyl]oxolane?
The canonical SMILES for 2-naphthalen-2-yl-5-[5-(5-naphthalen-2-yloxolan-2-yl)pentyl]oxolane is c1ccc2cc(C3CCC(CCCCCC4CCC(c5ccc6ccccc6c5)O4)O3)ccc2c1.
What is the InChIKey of 2-naphthalen-2-yl-5-[5-(5-naphthalen-2-yloxolan-2-yl)pentyl]oxolane?
The InChIKey is FUONLTVJLUSFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36O2/c1(2-12-30-18-20-32(34-30)28-16-14-24-8-4-6-10-26(24)22-28)3-13-31-19-21-33(35-31)29-17-15-25-9-5-7-11-27(25)23-29/h4-11,14-17,22-23,30-33H,1-3,12-13,18-21H2.
What are the key properties of 2-naphthalen-2-yl-5-[5-(5-naphthalen-2-yloxolan-2-yl)pentyl]oxolane?
2-naphthalen-2-yl-5-[5-(5-naphthalen-2-yloxolan-2-yl)pentyl]oxolane has a molecular weight of 464.65 g/mol, XLogP of 9.08, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-5-[5-(5-naphthalen-2-yloxolan-2-yl)pentyl]oxolane is sourced from PubChem (CID 158146426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).