1-oct-2-en-2-ylnaphthalene

C18H22 — CID 71332649

IUPAC1-oct-2-en-2-ylnaphthalene
SMILESCCCCCC=C(C)c1cccc2ccccc12
InChIInChI=1S/C18H22/c1-3-4-5-6-10-15(2)17-14-9-12-16-11-7-8-13-18(16)17/h7-14H,3-6H2,1-2H3
InChIKeyBTYVIZZQOYWDND-UHFFFAOYSA-N
MW238.37 g/mol
LogP5.82
Rot. Bonds5

About 1-oct-2-en-2-ylnaphthalene

1-oct-2-en-2-ylnaphthalene (PubChem CID 71332649) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-oct-2-en-2-ylnaphthalene.

Molecular Properties

Compound Name1-oct-2-en-2-ylnaphthalene
PubChem CID71332649
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name1-oct-2-en-2-ylnaphthalene
SMILESCCCCCC=C(C)c1cccc2ccccc12
InChIInChI=1S/C18H22/c1-3-4-5-6-10-15(2)17-14-9-12-16-11-7-8-13-18(16)17/h7-14H,3-6H2,1-2H3
InChIKeyBTYVIZZQOYWDND-UHFFFAOYSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.37
LogP ≤ 55.82
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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Frequently Asked Questions

What is the IUPAC name of 1-oct-2-en-2-ylnaphthalene?
The IUPAC name of 1-oct-2-en-2-ylnaphthalene (CID 71332649) is 1-oct-2-en-2-ylnaphthalene.
What is the SMILES notation for 1-oct-2-en-2-ylnaphthalene?
The canonical SMILES for 1-oct-2-en-2-ylnaphthalene is CCCCCC=C(C)c1cccc2ccccc12.
What is the InChIKey of 1-oct-2-en-2-ylnaphthalene?
The InChIKey is BTYVIZZQOYWDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22/c1-3-4-5-6-10-15(2)17-14-9-12-16-11-7-8-13-18(16)17/h7-14H,3-6H2,1-2H3.
What are the key properties of 1-oct-2-en-2-ylnaphthalene?
1-oct-2-en-2-ylnaphthalene has a molecular weight of 238.37 g/mol, XLogP of 5.82, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oct-2-en-2-ylnaphthalene is sourced from PubChem (CID 71332649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).