1-ethyl-2-pentylnaphthalene

C17H22 — CID 173391903

IUPAC1-ethyl-2-pentylnaphthalene
SMILESCCCCCc1ccc2ccccc2c1CC
InChIInChI=1S/C17H22/c1-3-5-6-9-14-12-13-15-10-7-8-11-17(15)16(14)4-2/h7-8,10-13H,3-6,9H2,1-2H3
InChIKeyCQTUUGTXCHJDRF-UHFFFAOYSA-N
MW226.36 g/mol
LogP5.13
Rot. Bonds5

About 1-ethyl-2-pentylnaphthalene

1-ethyl-2-pentylnaphthalene (PubChem CID 173391903) has the molecular formula C17H22 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-ethyl-2-pentylnaphthalene.

Molecular Properties

Compound Name1-ethyl-2-pentylnaphthalene
PubChem CID173391903
Molecular FormulaC17H22
Molecular Weight226.36 g/mol
Exact Mass226.17
IUPAC Name1-ethyl-2-pentylnaphthalene
SMILESCCCCCc1ccc2ccccc2c1CC
InChIInChI=1S/C17H22/c1-3-5-6-9-14-12-13-15-10-7-8-11-17(15)16(14)4-2/h7-8,10-13H,3-6,9H2,1-2H3
InChIKeyCQTUUGTXCHJDRF-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.36
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-pentyl-1-propylnaphthalene
CID 173391876
1,2-didecylnaphthalene
CID 22410831
1,2-di(icosyl)naphthalene
CID 90782201
2-hexyl-1-propylnaphthalene
CID 173300538
CID 66933436
CID 66933436
CID 162312155
CID 162312155
(2-pentylnaphthalen-1-yl)methanamine
CID 57296972
1,2-dibutylnaphthalene;naphthalene
CID 157292740
1,2-di(pentadecyl)naphthalene;sulfuric acid
CID 172768972
2-decyl-1-methylnaphthalene
CID 154261310
2-undecylnaphthalen-1-ol
CID 139729579
2-hexadecylnaphthalen-1-amine
CID 57354886

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-pentylnaphthalene?
The IUPAC name of 1-ethyl-2-pentylnaphthalene (CID 173391903) is 1-ethyl-2-pentylnaphthalene.
What is the SMILES notation for 1-ethyl-2-pentylnaphthalene?
The canonical SMILES for 1-ethyl-2-pentylnaphthalene is CCCCCc1ccc2ccccc2c1CC.
What is the InChIKey of 1-ethyl-2-pentylnaphthalene?
The InChIKey is CQTUUGTXCHJDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22/c1-3-5-6-9-14-12-13-15-10-7-8-11-17(15)16(14)4-2/h7-8,10-13H,3-6,9H2,1-2H3.
What are the key properties of 1-ethyl-2-pentylnaphthalene?
1-ethyl-2-pentylnaphthalene has a molecular weight of 226.36 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-pentylnaphthalene is sourced from PubChem (CID 173391903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).