1-(hexan-2-yloxymethyl)naphthalene

C17H22O — CID 126552542

IUPAC1-(hexan-2-yloxymethyl)naphthalene
SMILESCCCCC(C)OCc1cccc2ccccc12
InChIInChI=1S/C17H22O/c1-3-4-8-14(2)18-13-16-11-7-10-15-9-5-6-12-17(15)16/h5-7,9-12,14H,3-4,8,13H2,1-2H3
InChIKeyZEVKZKULIHUEDF-UHFFFAOYSA-N
MW242.36 g/mol
LogP4.94
Rot. Bonds6

About 1-(hexan-2-yloxymethyl)naphthalene

1-(hexan-2-yloxymethyl)naphthalene (PubChem CID 126552542) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(hexan-2-yloxymethyl)naphthalene.

Molecular Properties

Compound Name1-(hexan-2-yloxymethyl)naphthalene
PubChem CID126552542
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name1-(hexan-2-yloxymethyl)naphthalene
SMILESCCCCC(C)OCc1cccc2ccccc12
InChIInChI=1S/C17H22O/c1-3-4-8-14(2)18-13-16-11-7-10-15-9-5-6-12-17(15)16/h5-7,9-12,14H,3-4,8,13H2,1-2H3
InChIKeyZEVKZKULIHUEDF-UHFFFAOYSA-N
XLogP4.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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

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Related Compounds

1-(pentan-2-yloxymethyl)naphthalene
CID 174371768
2-(octan-2-yloxymethyl)aniline
CID 43127032
(3R)-3-(naphthalen-1-ylmethoxy)tridecan-2-one
CID 15415819
1-(hexoxymethyl)naphthalene
CID 18427527
1-[2-(1-phenylpropan-2-yl)hexyl]naphthalene
CID 91421580
(2S)-2-(naphthalen-1-ylmethoxy)propanoic acid
CID 104876043
1-(2-methylhexadecyl)naphthalene
CID 139758361
1-butylnaphthalene;ethane
CID 142087052
1,2-bis(butan-2-yloxymethyl)benzene
CID 21285753
1-hexoxy-3-naphthalen-1-ylpropan-1-ol
CID 54384522
N-(naphthalen-1-ylmethyl)octan-4-amine
CID 106023258
azane;1-butylnaphthalene;methane
CID 174691035

Frequently Asked Questions

What is the IUPAC name of 1-(hexan-2-yloxymethyl)naphthalene?
The IUPAC name of 1-(hexan-2-yloxymethyl)naphthalene (CID 126552542) is 1-(hexan-2-yloxymethyl)naphthalene.
What is the SMILES notation for 1-(hexan-2-yloxymethyl)naphthalene?
The canonical SMILES for 1-(hexan-2-yloxymethyl)naphthalene is CCCCC(C)OCc1cccc2ccccc12.
What is the InChIKey of 1-(hexan-2-yloxymethyl)naphthalene?
The InChIKey is ZEVKZKULIHUEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O/c1-3-4-8-14(2)18-13-16-11-7-10-15-9-5-6-12-17(15)16/h5-7,9-12,14H,3-4,8,13H2,1-2H3.
What are the key properties of 1-(hexan-2-yloxymethyl)naphthalene?
1-(hexan-2-yloxymethyl)naphthalene has a molecular weight of 242.36 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hexan-2-yloxymethyl)naphthalene is sourced from PubChem (CID 126552542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).