3-(1-ethoxyethenyl)-5-propan-2-yl-1,2-dihydronaphthalene

C17H22O — CID 134887759

IUPAC3-(1-ethoxyethenyl)-5-propan-2-yl-1,2-dihydronaphthalene
SMILESC=C(OCC)C1=Cc2c(cccc2C(C)C)CC1
InChIInChI=1S/C17H22O/c1-5-18-13(4)15-10-9-14-7-6-8-16(12(2)3)17(14)11-15/h6-8,11-12H,4-5,9-10H2,1-3H3
InChIKeyACKLDHGHEMJIQL-UHFFFAOYSA-N
MW242.36 g/mol
LogP4.69
Rot. Bonds4

About 3-(1-ethoxyethenyl)-5-propan-2-yl-1,2-dihydronaphthalene

3-(1-ethoxyethenyl)-5-propan-2-yl-1,2-dihydronaphthalene (PubChem CID 134887759) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-(1-ethoxyethenyl)-5-propan-2-yl-1,2-dihydronaphthalene.

Molecular Properties

Compound Name3-(1-ethoxyethenyl)-5-propan-2-yl-1,2-dihydronaphthalene
PubChem CID134887759
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name3-(1-ethoxyethenyl)-5-propan-2-yl-1,2-dihydronaphthalene
SMILESC=C(OCC)C1=Cc2c(cccc2C(C)C)CC1
InChIInChI=1S/C17H22O/c1-5-18-13(4)15-10-9-14-7-6-8-16(12(2)3)17(14)11-15/h6-8,11-12H,4-5,9-10H2,1-3H3
InChIKeyACKLDHGHEMJIQL-UHFFFAOYSA-N
XLogP4.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.69
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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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxyethenyl)-5-propan-2-yl-1,2-dihydronaphthalene?
The IUPAC name of 3-(1-ethoxyethenyl)-5-propan-2-yl-1,2-dihydronaphthalene (CID 134887759) is 3-(1-ethoxyethenyl)-5-propan-2-yl-1,2-dihydronaphthalene.
What is the SMILES notation for 3-(1-ethoxyethenyl)-5-propan-2-yl-1,2-dihydronaphthalene?
The canonical SMILES for 3-(1-ethoxyethenyl)-5-propan-2-yl-1,2-dihydronaphthalene is C=C(OCC)C1=Cc2c(cccc2C(C)C)CC1.
What is the InChIKey of 3-(1-ethoxyethenyl)-5-propan-2-yl-1,2-dihydronaphthalene?
The InChIKey is ACKLDHGHEMJIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O/c1-5-18-13(4)15-10-9-14-7-6-8-16(12(2)3)17(14)11-15/h6-8,11-12H,4-5,9-10H2,1-3H3.
What are the key properties of 3-(1-ethoxyethenyl)-5-propan-2-yl-1,2-dihydronaphthalene?
3-(1-ethoxyethenyl)-5-propan-2-yl-1,2-dihydronaphthalene has a molecular weight of 242.36 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxyethenyl)-5-propan-2-yl-1,2-dihydronaphthalene is sourced from PubChem (CID 134887759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).