1-(hexoxymethyl)naphthalene

C17H22O — CID 18427527

IUPAC1-(hexoxymethyl)naphthalene
SMILESCCCCCCOCc1cccc2ccccc12
InChIInChI=1S/C17H22O/c1-2-3-4-7-13-18-14-16-11-8-10-15-9-5-6-12-17(15)16/h5-6,8-12H,2-4,7,13-14H2,1H3
InChIKeyWDKPWAXBVPEJNP-UHFFFAOYSA-N
MW242.36 g/mol
LogP4.94
Rot. Bonds7

About 1-(hexoxymethyl)naphthalene

1-(hexoxymethyl)naphthalene (PubChem CID 18427527) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(hexoxymethyl)naphthalene.

Molecular Properties

Compound Name1-(hexoxymethyl)naphthalene
PubChem CID18427527
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name1-(hexoxymethyl)naphthalene
SMILESCCCCCCOCc1cccc2ccccc12
InChIInChI=1S/C17H22O/c1-2-3-4-7-13-18-14-16-11-8-10-15-9-5-6-12-17(15)16/h5-6,8-12H,2-4,7,13-14H2,1H3
InChIKeyWDKPWAXBVPEJNP-UHFFFAOYSA-N
XLogP4.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.94
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

1-(5-bromopentoxymethyl)naphthalene
CID 19101842
1-(butoxymethyl)naphthalene;2-(butoxymethyl)naphthalene
CID 91406926
1-(henicosa-7,9-diynoxymethyl)-5-(nonacosa-15,17-diynoxymethyl)anthracene
CID 102433855
1,5-bis(henicosa-6,8-diynoxymethyl)anthracene
CID 102433852
1-tetradecylnaphthalene
CID 14402128
3-(octacosoxymethyl)-1H-indole
CID 11512197
potassium;hydride;1-octylnaphthalene
CID 173443599
11,12-bis(decoxymethyl)quinoxalino[2,3-f][1,10]phenanthroline
CID 102391462
1-hexoxy-3-naphthalen-1-ylpropan-1-ol
CID 54384522
2-(octoxymethyl)naphthalene
CID 101192870
3-(heptoxymethyl)quinolin-2-amine
CID 62194119
N-[[2-(heptoxymethyl)phenyl]methyl]propan-2-amine
CID 63490911

Frequently Asked Questions

What is the IUPAC name of 1-(hexoxymethyl)naphthalene?
The IUPAC name of 1-(hexoxymethyl)naphthalene (CID 18427527) is 1-(hexoxymethyl)naphthalene.
What is the SMILES notation for 1-(hexoxymethyl)naphthalene?
The canonical SMILES for 1-(hexoxymethyl)naphthalene is CCCCCCOCc1cccc2ccccc12.
What is the InChIKey of 1-(hexoxymethyl)naphthalene?
The InChIKey is WDKPWAXBVPEJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O/c1-2-3-4-7-13-18-14-16-11-8-10-15-9-5-6-12-17(15)16/h5-6,8-12H,2-4,7,13-14H2,1H3.
What are the key properties of 1-(hexoxymethyl)naphthalene?
1-(hexoxymethyl)naphthalene has a molecular weight of 242.36 g/mol, XLogP of 4.94, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hexoxymethyl)naphthalene is sourced from PubChem (CID 18427527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).