7-heptoxy-3-(2-methoxyethoxy)-1,2-dihydronaphthalene

C20H30O3 — CID 163936783

IUPAC7-heptoxy-3-(2-methoxyethoxy)-1,2-dihydronaphthalene
SMILESCCCCCCCOc1ccc2c(c1)CCC(OCCOC)=C2
InChIInChI=1S/C20H30O3/c1-3-4-5-6-7-12-22-19-10-8-18-16-20(23-14-13-21-2)11-9-17(18)15-19/h8,10,15-16H,3-7,9,11-14H2,1-2H3
InChIKeyRNMJJIUKGOZFKG-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.99
Rot. Bonds11

About 7-heptoxy-3-(2-methoxyethoxy)-1,2-dihydronaphthalene

7-heptoxy-3-(2-methoxyethoxy)-1,2-dihydronaphthalene (PubChem CID 163936783) has the molecular formula C20H30O3 and a molecular weight of 318.46 g/mol. Its IUPAC name is 7-heptoxy-3-(2-methoxyethoxy)-1,2-dihydronaphthalene.

Molecular Properties

Compound Name7-heptoxy-3-(2-methoxyethoxy)-1,2-dihydronaphthalene
PubChem CID163936783
Molecular FormulaC20H30O3
Molecular Weight318.46 g/mol
Exact Mass318.22
IUPAC Name7-heptoxy-3-(2-methoxyethoxy)-1,2-dihydronaphthalene
SMILESCCCCCCCOc1ccc2c(c1)CCC(OCCOC)=C2
InChIInChI=1S/C20H30O3/c1-3-4-5-6-7-12-22-19-10-8-18-16-20(23-14-13-21-2)11-9-17(18)15-19/h8,10,15-16H,3-7,9,11-14H2,1-2H3
InChIKeyRNMJJIUKGOZFKG-UHFFFAOYSA-N
XLogP4.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(6-butoxy-3,4-dihydronaphthalen-2-yl)methyl]-1-hydroxyurea
CID 19788833
(2S)-2-methyl-7-pentoxy-1,2-dihydronaphthalene
CID 175701230
2-pentoxy-9,10-dihydrophenanthrene
CID 143490734
5-pentoxy-2,3-dihydroinden-1-one
CID 104986088
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
1-[2-(4-decoxyphenyl)ethynyl]-3,5-bis[2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethynyl]benzene
CID 101486311
2,2-dimethylbutanal;2-(5-methoxypentoxy)-6-[4-(trifluoromethyl)phenyl]-8,9-dihydro-7H-benzo[7]annulene
CID 155712287
1,4-dipentoxybenzene
CID 18314717
6-hexadecoxy-3,4-dihydro-2H-naphthalen-1-one
CID 71387522
5-octoxy-2,3-dihydro-1H-inden-1-ol
CID 107684624
6-pentoxy-3,4-dihydro-1H-quinolin-2-one
CID 42598028

Frequently Asked Questions

What is the IUPAC name of 7-heptoxy-3-(2-methoxyethoxy)-1,2-dihydronaphthalene?
The IUPAC name of 7-heptoxy-3-(2-methoxyethoxy)-1,2-dihydronaphthalene (CID 163936783) is 7-heptoxy-3-(2-methoxyethoxy)-1,2-dihydronaphthalene.
What is the SMILES notation for 7-heptoxy-3-(2-methoxyethoxy)-1,2-dihydronaphthalene?
The canonical SMILES for 7-heptoxy-3-(2-methoxyethoxy)-1,2-dihydronaphthalene is CCCCCCCOc1ccc2c(c1)CCC(OCCOC)=C2.
What is the InChIKey of 7-heptoxy-3-(2-methoxyethoxy)-1,2-dihydronaphthalene?
The InChIKey is RNMJJIUKGOZFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O3/c1-3-4-5-6-7-12-22-19-10-8-18-16-20(23-14-13-21-2)11-9-17(18)15-19/h8,10,15-16H,3-7,9,11-14H2,1-2H3.
What are the key properties of 7-heptoxy-3-(2-methoxyethoxy)-1,2-dihydronaphthalene?
7-heptoxy-3-(2-methoxyethoxy)-1,2-dihydronaphthalene has a molecular weight of 318.46 g/mol, XLogP of 4.99, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-heptoxy-3-(2-methoxyethoxy)-1,2-dihydronaphthalene is sourced from PubChem (CID 163936783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).