2-pentoxy-1,2,3,4-tetrahydronaphthalene

C15H22O — CID 145021602

IUPAC2-pentoxy-1,2,3,4-tetrahydronaphthalene
SMILESCCCCCOC1CCc2ccccc2C1
InChIInChI=1S/C15H22O/c1-2-3-6-11-16-15-10-9-13-7-4-5-8-14(13)12-15/h4-5,7-8,15H,2-3,6,9-12H2,1H3
InChIKeyKZOWJMJLMVRYOG-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.75
Rot. Bonds5

About 2-pentoxy-1,2,3,4-tetrahydronaphthalene

2-pentoxy-1,2,3,4-tetrahydronaphthalene (PubChem CID 145021602) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-pentoxy-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-pentoxy-1,2,3,4-tetrahydronaphthalene
PubChem CID145021602
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name2-pentoxy-1,2,3,4-tetrahydronaphthalene
SMILESCCCCCOC1CCc2ccccc2C1
InChIInChI=1S/C15H22O/c1-2-3-6-11-16-15-10-9-13-7-4-5-8-14(13)12-15/h4-5,7-8,15H,2-3,6,9-12H2,1H3
InChIKeyKZOWJMJLMVRYOG-UHFFFAOYSA-N
XLogP3.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.75
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

1,2,3,4-Tetrahydro-2-naphthalenol
CID 10747
Benzene, [2-(cyclohexyloxy)ethyl]-
CID 166527
Tetralin hydroperoxide
CID 69866
Benzene, [2-(1-methylethoxy)ethyl]-
CID 106442
(2R,3R)-1,2,3,4-tetrahydronaphthalene-2,3-diol
CID 11805090
(2S)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 7157069
Butyl phenethyl ether
CID 79240
(R)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 640694
1-Naphthylpropylene oxide
CID 119125
1,2,3,4-Tetrahydronaphthalene-2,3-diol
CID 247473
Benzene, (2-(1,1-dimethylethoxy)ethyl)-
CID 76884
2-(2-Ethoxyethyl)-1,1'-biphenyl
CID 3023481

Frequently Asked Questions

What is the IUPAC name of 2-pentoxy-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-pentoxy-1,2,3,4-tetrahydronaphthalene (CID 145021602) is 2-pentoxy-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-pentoxy-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-pentoxy-1,2,3,4-tetrahydronaphthalene is CCCCCOC1CCc2ccccc2C1.
What is the InChIKey of 2-pentoxy-1,2,3,4-tetrahydronaphthalene?
The InChIKey is KZOWJMJLMVRYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-2-3-6-11-16-15-10-9-13-7-4-5-8-14(13)12-15/h4-5,7-8,15H,2-3,6,9-12H2,1H3.
What are the key properties of 2-pentoxy-1,2,3,4-tetrahydronaphthalene?
2-pentoxy-1,2,3,4-tetrahydronaphthalene has a molecular weight of 218.34 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentoxy-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 145021602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).