2-(octoxymethyl)naphthalene

C19H26O — CID 101192870

IUPAC2-(octoxymethyl)naphthalene
SMILESCCCCCCCCOCc1ccc2ccccc2c1
InChIInChI=1S/C19H26O/c1-2-3-4-5-6-9-14-20-16-17-12-13-18-10-7-8-11-19(18)15-17/h7-8,10-13,15H,2-6,9,14,16H2,1H3
InChIKeyOWFPCTICCWZVID-UHFFFAOYSA-N
MW270.42 g/mol
LogP5.72
Rot. Bonds9

About 2-(octoxymethyl)naphthalene

2-(octoxymethyl)naphthalene (PubChem CID 101192870) has the molecular formula C19H26O and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-(octoxymethyl)naphthalene.

Molecular Properties

Compound Name2-(octoxymethyl)naphthalene
PubChem CID101192870
Molecular FormulaC19H26O
Molecular Weight270.42 g/mol
Exact Mass270.20
IUPAC Name2-(octoxymethyl)naphthalene
SMILESCCCCCCCCOCc1ccc2ccccc2c1
InChIInChI=1S/C19H26O/c1-2-3-4-5-6-9-14-20-16-17-12-13-18-10-7-8-11-19(18)15-17/h7-8,10-13,15H,2-6,9,14,16H2,1H3
InChIKeyOWFPCTICCWZVID-UHFFFAOYSA-N
XLogP5.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.42
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-(naphthalen-2-ylmethoxy)hexan-1-amine
CID 86078826
1-(butoxymethyl)naphthalene;2-(butoxymethyl)naphthalene
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2-(ethoxymethyl)naphthalene
CID 11063138
2-(butoxymethyl)-6-methylnaphthalene
CID 58718918
1-methoxy-4-(octoxymethyl)benzene
CID 11288168
azane;hexoxymethylbenzene
CID 174805489
5-O-(naphthalen-2-ylmethyl) 1-O-nonyl pentanedioate
CID 91707978
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CID 123339460
2-dodecoxyethoxymethylbenzene
CID 12857482
ethane;2-hexylnaphthalene
CID 142191207
5-(2-hexoxyethoxy)pentoxymethylbenzene
CID 160938924
2-hexadecoxyethoxymethylbenzene
CID 19965709

Frequently Asked Questions

What is the IUPAC name of 2-(octoxymethyl)naphthalene?
The IUPAC name of 2-(octoxymethyl)naphthalene (CID 101192870) is 2-(octoxymethyl)naphthalene.
What is the SMILES notation for 2-(octoxymethyl)naphthalene?
The canonical SMILES for 2-(octoxymethyl)naphthalene is CCCCCCCCOCc1ccc2ccccc2c1.
What is the InChIKey of 2-(octoxymethyl)naphthalene?
The InChIKey is OWFPCTICCWZVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O/c1-2-3-4-5-6-9-14-20-16-17-12-13-18-10-7-8-11-19(18)15-17/h7-8,10-13,15H,2-6,9,14,16H2,1H3.
What are the key properties of 2-(octoxymethyl)naphthalene?
2-(octoxymethyl)naphthalene has a molecular weight of 270.42 g/mol, XLogP of 5.72, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(octoxymethyl)naphthalene is sourced from PubChem (CID 101192870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).