6-hexadecoxy-3,4-dihydro-2H-naphthalen-1-one

C26H42O2 — CID 71387522

IUPAC6-hexadecoxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCCCCCCCCCCCCCCCCOc1ccc2c(c1)CCCC2=O
InChIInChI=1S/C26H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-28-24-19-20-25-23(22-24)17-16-18-26(25)27/h19-20,22H,2-18,21H2,1H3
InChIKeyWMCRQPFCYVTAGC-UHFFFAOYSA-N
MW386.62 g/mol
LogP8.07
Rot. Bonds16

About 6-hexadecoxy-3,4-dihydro-2H-naphthalen-1-one

6-hexadecoxy-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 71387522) has the molecular formula C26H42O2 and a molecular weight of 386.62 g/mol. Its IUPAC name is 6-hexadecoxy-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-hexadecoxy-3,4-dihydro-2H-naphthalen-1-one
PubChem CID71387522
Molecular FormulaC26H42O2
Molecular Weight386.62 g/mol
Exact Mass386.32
IUPAC Name6-hexadecoxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCCCCCCCCCCCCCCCCOc1ccc2c(c1)CCCC2=O
InChIInChI=1S/C26H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-28-24-19-20-25-23(22-24)17-16-18-26(25)27/h19-20,22H,2-18,21H2,1H3
InChIKeyWMCRQPFCYVTAGC-UHFFFAOYSA-N
XLogP8.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.62
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-pentoxy-2,3-dihydroinden-1-one
CID 104986088
6-hept-6-enoxy-3,4-dihydro-2H-naphthalen-1-one
CID 107007273
6-(4-oxopentoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 62033294
6-(ethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65369803
6-(4,4,4-trifluorobutoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 113326422
2-pentoxy-9,10-dihydrophenanthrene
CID 143490734
2-butoxy-7-hexoxyfluoren-9-one
CID 6425371
5-[3-(nonan-3-ylamino)propoxy]-2,3-dihydroinden-1-one
CID 67940588
6-(2-methoxyethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 54129748
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
6-[(4-methoxyphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 54107064
6-[2-(2-oxocyclopentyl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 79566144

Frequently Asked Questions

What is the IUPAC name of 6-hexadecoxy-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-hexadecoxy-3,4-dihydro-2H-naphthalen-1-one (CID 71387522) is 6-hexadecoxy-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-hexadecoxy-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-hexadecoxy-3,4-dihydro-2H-naphthalen-1-one is CCCCCCCCCCCCCCCCOc1ccc2c(c1)CCCC2=O.
What is the InChIKey of 6-hexadecoxy-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is WMCRQPFCYVTAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-28-24-19-20-25-23(22-24)17-16-18-26(25)27/h19-20,22H,2-18,21H2,1H3.
What are the key properties of 6-hexadecoxy-3,4-dihydro-2H-naphthalen-1-one?
6-hexadecoxy-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 386.62 g/mol, XLogP of 8.07, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hexadecoxy-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 71387522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).