2-(naphthalen-1-ylmethyl)hexanal

C17H20O — CID 11586767

IUPAC2-(naphthalen-1-ylmethyl)hexanal
SMILESCCCCC(C=O)Cc1cccc2ccccc12
InChIInChI=1S/C17H20O/c1-2-3-7-14(13-18)12-16-10-6-9-15-8-4-5-11-17(15)16/h4-6,8-11,13-14H,2-3,7,12H2,1H3
InChIKeyZVWBHFPRXOZGOE-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.39
Rot. Bonds6

About 2-(naphthalen-1-ylmethyl)hexanal

2-(naphthalen-1-ylmethyl)hexanal (PubChem CID 11586767) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(naphthalen-1-ylmethyl)hexanal.

Molecular Properties

Compound Name2-(naphthalen-1-ylmethyl)hexanal
PubChem CID11586767
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name2-(naphthalen-1-ylmethyl)hexanal
SMILESCCCCC(C=O)Cc1cccc2ccccc12
InChIInChI=1S/C17H20O/c1-2-3-7-14(13-18)12-16-10-6-9-15-8-4-5-11-17(15)16/h4-6,8-11,13-14H,2-3,7,12H2,1H3
InChIKeyZVWBHFPRXOZGOE-UHFFFAOYSA-N
XLogP4.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylmethyl)hexanal?
The IUPAC name of 2-(naphthalen-1-ylmethyl)hexanal (CID 11586767) is 2-(naphthalen-1-ylmethyl)hexanal.
What is the SMILES notation for 2-(naphthalen-1-ylmethyl)hexanal?
The canonical SMILES for 2-(naphthalen-1-ylmethyl)hexanal is CCCCC(C=O)Cc1cccc2ccccc12.
What is the InChIKey of 2-(naphthalen-1-ylmethyl)hexanal?
The InChIKey is ZVWBHFPRXOZGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-2-3-7-14(13-18)12-16-10-6-9-15-8-4-5-11-17(15)16/h4-6,8-11,13-14H,2-3,7,12H2,1H3.
What are the key properties of 2-(naphthalen-1-ylmethyl)hexanal?
2-(naphthalen-1-ylmethyl)hexanal has a molecular weight of 240.35 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylmethyl)hexanal is sourced from PubChem (CID 11586767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).