5-tert-butyl-3-(1-ethoxyethenyl)-1,2-dihydronaphthalene

C18H24O — CID 11288343

IUPAC5-tert-butyl-3-(1-ethoxyethenyl)-1,2-dihydronaphthalene
SMILESC=C(OCC)C1=Cc2c(cccc2C(C)(C)C)CC1
InChIInChI=1S/C18H24O/c1-6-19-13(2)15-11-10-14-8-7-9-17(16(14)12-15)18(3,4)5/h7-9,12H,2,6,10-11H2,1,3-5H3
InChIKeyFCTZDXBLXKDRHW-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.86
Rot. Bonds3

About 5-tert-butyl-3-(1-ethoxyethenyl)-1,2-dihydronaphthalene

5-tert-butyl-3-(1-ethoxyethenyl)-1,2-dihydronaphthalene (PubChem CID 11288343) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is 5-tert-butyl-3-(1-ethoxyethenyl)-1,2-dihydronaphthalene.

Molecular Properties

Compound Name5-tert-butyl-3-(1-ethoxyethenyl)-1,2-dihydronaphthalene
PubChem CID11288343
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Name5-tert-butyl-3-(1-ethoxyethenyl)-1,2-dihydronaphthalene
SMILESC=C(OCC)C1=Cc2c(cccc2C(C)(C)C)CC1
InChIInChI=1S/C18H24O/c1-6-19-13(2)15-11-10-14-8-7-9-17(16(14)12-15)18(3,4)5/h7-9,12H,2,6,10-11H2,1,3-5H3
InChIKeyFCTZDXBLXKDRHW-UHFFFAOYSA-N
XLogP4.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

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CID 102443869
3-(1-Ethoxyethenyl)-5-propan-2-yl-1,2-dihydronaphthalene
CID 134887759
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CID 134887823
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CID 68407693
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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-(1-ethoxyethenyl)-1,2-dihydronaphthalene?
The IUPAC name of 5-tert-butyl-3-(1-ethoxyethenyl)-1,2-dihydronaphthalene (CID 11288343) is 5-tert-butyl-3-(1-ethoxyethenyl)-1,2-dihydronaphthalene.
What is the SMILES notation for 5-tert-butyl-3-(1-ethoxyethenyl)-1,2-dihydronaphthalene?
The canonical SMILES for 5-tert-butyl-3-(1-ethoxyethenyl)-1,2-dihydronaphthalene is C=C(OCC)C1=Cc2c(cccc2C(C)(C)C)CC1.
What is the InChIKey of 5-tert-butyl-3-(1-ethoxyethenyl)-1,2-dihydronaphthalene?
The InChIKey is FCTZDXBLXKDRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O/c1-6-19-13(2)15-11-10-14-8-7-9-17(16(14)12-15)18(3,4)5/h7-9,12H,2,6,10-11H2,1,3-5H3.
What are the key properties of 5-tert-butyl-3-(1-ethoxyethenyl)-1,2-dihydronaphthalene?
5-tert-butyl-3-(1-ethoxyethenyl)-1,2-dihydronaphthalene has a molecular weight of 256.39 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-(1-ethoxyethenyl)-1,2-dihydronaphthalene is sourced from PubChem (CID 11288343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).