5-butoxy-1,2,3,4-tetrahydronaphthalene

C14H20O — CID 57014002

IUPAC5-butoxy-1,2,3,4-tetrahydronaphthalene
SMILESCCCCOc1cccc2c1CCCC2
InChIInChI=1S/C14H20O/c1-2-3-11-15-14-10-6-8-12-7-4-5-9-13(12)14/h6,8,10H,2-5,7,9,11H2,1H3
InChIKeyKDOQJYWAVVRCTH-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.74
Rot. Bonds4

About 5-butoxy-1,2,3,4-tetrahydronaphthalene

5-butoxy-1,2,3,4-tetrahydronaphthalene (PubChem CID 57014002) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 5-butoxy-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name5-butoxy-1,2,3,4-tetrahydronaphthalene
PubChem CID57014002
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name5-butoxy-1,2,3,4-tetrahydronaphthalene
SMILESCCCCOc1cccc2c1CCCC2
InChIInChI=1S/C14H20O/c1-2-3-11-15-14-10-6-8-12-7-4-5-9-13(12)14/h6,8,10H,2-5,7,9,11H2,1H3
InChIKeyKDOQJYWAVVRCTH-UHFFFAOYSA-N
XLogP3.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.74
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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Frequently Asked Questions

What is the IUPAC name of 5-butoxy-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 5-butoxy-1,2,3,4-tetrahydronaphthalene (CID 57014002) is 5-butoxy-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 5-butoxy-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 5-butoxy-1,2,3,4-tetrahydronaphthalene is CCCCOc1cccc2c1CCCC2.
What is the InChIKey of 5-butoxy-1,2,3,4-tetrahydronaphthalene?
The InChIKey is KDOQJYWAVVRCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-2-3-11-15-14-10-6-8-12-7-4-5-9-13(12)14/h6,8,10H,2-5,7,9,11H2,1H3.
What are the key properties of 5-butoxy-1,2,3,4-tetrahydronaphthalene?
5-butoxy-1,2,3,4-tetrahydronaphthalene has a molecular weight of 204.31 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 57014002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).