2-(4-ethoxypentan-2-yl)naphthalene

C17H22O — CID 129253076

IUPAC2-(4-ethoxypentan-2-yl)naphthalene
SMILESCCOC(C)CC(C)c1ccc2ccccc2c1
InChIInChI=1S/C17H22O/c1-4-18-14(3)11-13(2)16-10-9-15-7-5-6-8-17(15)12-16/h5-10,12-14H,4,11H2,1-3H3
InChIKeyZETDMQJBQMHHAB-UHFFFAOYSA-N
MW242.36 g/mol
LogP4.76
Rot. Bonds5

About 2-(4-ethoxypentan-2-yl)naphthalene

2-(4-ethoxypentan-2-yl)naphthalene (PubChem CID 129253076) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-(4-ethoxypentan-2-yl)naphthalene.

Molecular Properties

Compound Name2-(4-ethoxypentan-2-yl)naphthalene
PubChem CID129253076
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name2-(4-ethoxypentan-2-yl)naphthalene
SMILESCCOC(C)CC(C)c1ccc2ccccc2c1
InChIInChI=1S/C17H22O/c1-4-18-14(3)11-13(2)16-10-9-15-7-5-6-8-17(15)12-16/h5-10,12-14H,4,11H2,1-3H3
InChIKeyZETDMQJBQMHHAB-UHFFFAOYSA-N
XLogP4.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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

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Related Compounds

2-(4-chloropentan-2-yl)naphthalene
CID 64719465
2-ethoxy-1-naphthalen-2-ylpropan-1-amine
CID 64541977
2-ethoxy-3-methyl-1-naphthalen-2-ylbutan-1-ol
CID 116712227
2-ethoxy-2-naphthalen-2-ylethanamine
CID 53276132
(1R)-2,2-diethoxy-1-naphthalen-2-ylethanol
CID 102400657
2-(4-methylpentan-2-yloxy)-1-naphthalen-2-ylethanamine
CID 43105278
triethoxy(1-naphthalen-2-ylethyl)silane
CID 18795115
(2R)-2-ethoxy-N-methyl-2-naphthalen-2-ylethanamine
CID 95001736
N-methyl-2-naphthalen-2-ylpropan-1-amine
CID 19847434
1-naphthalen-2-ylethanethiol
CID 11672816
2-(1-butoxypropan-2-yl)naphthalene
CID 91801948
2-butan-2-yloxy-1-naphthalen-2-ylethanamine
CID 54944139

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxypentan-2-yl)naphthalene?
The IUPAC name of 2-(4-ethoxypentan-2-yl)naphthalene (CID 129253076) is 2-(4-ethoxypentan-2-yl)naphthalene.
What is the SMILES notation for 2-(4-ethoxypentan-2-yl)naphthalene?
The canonical SMILES for 2-(4-ethoxypentan-2-yl)naphthalene is CCOC(C)CC(C)c1ccc2ccccc2c1.
What is the InChIKey of 2-(4-ethoxypentan-2-yl)naphthalene?
The InChIKey is ZETDMQJBQMHHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O/c1-4-18-14(3)11-13(2)16-10-9-15-7-5-6-8-17(15)12-16/h5-10,12-14H,4,11H2,1-3H3.
What are the key properties of 2-(4-ethoxypentan-2-yl)naphthalene?
2-(4-ethoxypentan-2-yl)naphthalene has a molecular weight of 242.36 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxypentan-2-yl)naphthalene is sourced from PubChem (CID 129253076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).