2-(1-butoxypropan-2-yl)naphthalene

C17H22O — CID 91801948

IUPAC2-(1-butoxypropan-2-yl)naphthalene
SMILESCCCCOCC(C)c1ccc2ccccc2c1
InChIInChI=1S/C17H22O/c1-3-4-11-18-13-14(2)16-10-9-15-7-5-6-8-17(15)12-16/h5-10,12,14H,3-4,11,13H2,1-2H3
InChIKeyAUHYRTZDKASZNO-UHFFFAOYSA-N
MW242.36 g/mol
LogP4.76
Rot. Bonds6

About 2-(1-butoxypropan-2-yl)naphthalene

2-(1-butoxypropan-2-yl)naphthalene (PubChem CID 91801948) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-(1-butoxypropan-2-yl)naphthalene.

Molecular Properties

Compound Name2-(1-butoxypropan-2-yl)naphthalene
PubChem CID91801948
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name2-(1-butoxypropan-2-yl)naphthalene
SMILESCCCCOCC(C)c1ccc2ccccc2c1
InChIInChI=1S/C17H22O/c1-3-4-11-18-13-14(2)16-10-9-15-7-5-6-8-17(15)12-16/h5-10,12,14H,3-4,11,13H2,1-2H3
InChIKeyAUHYRTZDKASZNO-UHFFFAOYSA-N
XLogP4.76
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 ≤ 54.76
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-octoxypropan-2-ylbenzene
CID 77473849
N-(1-naphthalen-2-ylethyl)-3-propoxypropan-1-amine
CID 82941427
4-(1-pentoxypropan-2-yl)phenol
CID 18950152
N-methyl-1-naphthalen-2-yl-2-(2-propoxyethoxy)ethanamine
CID 63685085
(1R)-1-naphthalen-2-ylpentan-1-amine
CID 171201313
2-(4-ethoxypentan-2-yl)naphthalene
CID 129253076
2-(2-methoxy-1-naphthalen-2-ylethyl)naphthalene
CID 3646227
N-methyl-2-naphthalen-2-ylpropan-1-amine
CID 19847434
2-(4-chloropentan-2-yl)naphthalene
CID 64719465
2-octan-3-ylnaphthalene
CID 14029920
1-naphthalen-2-ylethyl pentanoate
CID 46886522
N-[(1R)-1-naphthalen-2-ylethyl]octan-1-amine
CID 166642930

Frequently Asked Questions

What is the IUPAC name of 2-(1-butoxypropan-2-yl)naphthalene?
The IUPAC name of 2-(1-butoxypropan-2-yl)naphthalene (CID 91801948) is 2-(1-butoxypropan-2-yl)naphthalene.
What is the SMILES notation for 2-(1-butoxypropan-2-yl)naphthalene?
The canonical SMILES for 2-(1-butoxypropan-2-yl)naphthalene is CCCCOCC(C)c1ccc2ccccc2c1.
What is the InChIKey of 2-(1-butoxypropan-2-yl)naphthalene?
The InChIKey is AUHYRTZDKASZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O/c1-3-4-11-18-13-14(2)16-10-9-15-7-5-6-8-17(15)12-16/h5-10,12,14H,3-4,11,13H2,1-2H3.
What are the key properties of 2-(1-butoxypropan-2-yl)naphthalene?
2-(1-butoxypropan-2-yl)naphthalene has a molecular weight of 242.36 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butoxypropan-2-yl)naphthalene is sourced from PubChem (CID 91801948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).