6-hept-6-enoxy-3,4-dihydro-2H-naphthalen-1-one

C17H22O2 — CID 107007273

IUPAC6-hept-6-enoxy-3,4-dihydro-2H-naphthalen-1-one
SMILESC=CCCCCCOc1ccc2c(c1)CCCC2=O
InChIInChI=1S/C17H22O2/c1-2-3-4-5-6-12-19-15-10-11-16-14(13-15)8-7-9-17(16)18/h2,10-11,13H,1,3-9,12H2
InChIKeyHJHMWCBRANGSPB-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.33
Rot. Bonds7

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

6-hept-6-enoxy-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 107007273) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 6-hept-6-enoxy-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-hept-6-enoxy-3,4-dihydro-2H-naphthalen-1-one
PubChem CID107007273
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name6-hept-6-enoxy-3,4-dihydro-2H-naphthalen-1-one
SMILESC=CCCCCCOc1ccc2c(c1)CCCC2=O
InChIInChI=1S/C17H22O2/c1-2-3-4-5-6-12-19-15-10-11-16-14(13-15)8-7-9-17(16)18/h2,10-11,13H,1,3-9,12H2
InChIKeyHJHMWCBRANGSPB-UHFFFAOYSA-N
XLogP4.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-pent-4-enoxy-2,3-dihydroinden-1-one
CID 104986130
6-hexadecoxy-3,4-dihydro-2H-naphthalen-1-one
CID 71387522
6-(4,4,4-trifluorobutoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 113326422
6-(4-oxopentoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 62033294
5-pentoxy-2,3-dihydroinden-1-one
CID 104986088
6-(ethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65369803
6-[2-(2-oxocyclopentyl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 79566144
2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]-N-(prop-2-enylcarbamoyl)acetamide
CID 51106504
7-hept-6-enoxy-2,2-dimethyl-3H-chromen-4-one
CID 107007272
6-(2-methoxyethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 54129748
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
6-[(1-hydroxycyclopentyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 65210703

Frequently Asked Questions

What is the IUPAC name of 6-hept-6-enoxy-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-hept-6-enoxy-3,4-dihydro-2H-naphthalen-1-one (CID 107007273) is 6-hept-6-enoxy-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-hept-6-enoxy-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-hept-6-enoxy-3,4-dihydro-2H-naphthalen-1-one is C=CCCCCCOc1ccc2c(c1)CCCC2=O.
What is the InChIKey of 6-hept-6-enoxy-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is HJHMWCBRANGSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c1-2-3-4-5-6-12-19-15-10-11-16-14(13-15)8-7-9-17(16)18/h2,10-11,13H,1,3-9,12H2.
What are the key properties of 6-hept-6-enoxy-3,4-dihydro-2H-naphthalen-1-one?
6-hept-6-enoxy-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 258.36 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hept-6-enoxy-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 107007273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).