7-(4,4-dimethoxybutoxy)-2-methylidene-1H-naphthalene

C17H22O3 — CID 161236557

IUPAC7-(4,4-dimethoxybutoxy)-2-methylidene-1H-naphthalene
SMILESC=C1C=Cc2ccc(OCCCC(OC)OC)cc2C1
InChIInChI=1S/C17H22O3/c1-13-6-7-14-8-9-16(12-15(14)11-13)20-10-4-5-17(18-2)19-3/h6-9,12,17H,1,4-5,10-11H2,2-3H3
InChIKeyUZLFZURZSMPMCR-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.59
Rot. Bonds7

About 7-(4,4-dimethoxybutoxy)-2-methylidene-1H-naphthalene

7-(4,4-dimethoxybutoxy)-2-methylidene-1H-naphthalene (PubChem CID 161236557) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is 7-(4,4-dimethoxybutoxy)-2-methylidene-1H-naphthalene.

Molecular Properties

Compound Name7-(4,4-dimethoxybutoxy)-2-methylidene-1H-naphthalene
PubChem CID161236557
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Name7-(4,4-dimethoxybutoxy)-2-methylidene-1H-naphthalene
SMILESC=C1C=Cc2ccc(OCCCC(OC)OC)cc2C1
InChIInChI=1S/C17H22O3/c1-13-6-7-14-8-9-16(12-15(14)11-13)20-10-4-5-17(18-2)19-3/h6-9,12,17H,1,4-5,10-11H2,2-3H3
InChIKeyUZLFZURZSMPMCR-UHFFFAOYSA-N
XLogP3.59
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

7-(4,4-dimethoxybutoxy)-1H-naphthalen-2-one;iodoform;iodomethane;4-[(7-oxo-8H-naphthalen-2-yl)oxy]butanal;vanadium;hydrate;hydrochloride
CID 158920174
4-chloro-1,1-dimethoxybutane;7-(5-hydroxy-4-methoxypentoxy)-1H-naphthalen-2-one;7-hydroxy-1H-naphthalen-2-one;molecular iodine;yttrium
CID 159498411
1-(5,5-dimethoxypentoxy)-3-hexoxybenzene
CID 68744497
6-propoxy-1H-indene
CID 19751756
7-(4-hydroxybutoxy)-1H-naphthalen-2-one;4-[(7-oxo-8H-naphthalen-2-yl)oxy]butanal
CID 160655191
(2S)-2-methyl-7-pentoxy-1,2-dihydronaphthalene
CID 175701230
(2S)-2-methyl-7-(4,4,4-trifluorobutoxy)-1,2-dihydronaphthalene
CID 155755695
5-(6-chlorohexoxy)-2,3-dihydro-1H-indene
CID 63499663
azane;8-(3-bicyclo[4.1.0]hepta-1(6),2,4-trienyloxy)octan-1-ol
CID 175067623
4-methyl-7-pentoxy-3,4-dihydro-1H-naphthalen-2-one
CID 158325360
7-heptoxy-3-(2-methoxyethoxy)-1,2-dihydronaphthalene
CID 163936783
2-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoic acid
CID 112511653

Frequently Asked Questions

What is the IUPAC name of 7-(4,4-dimethoxybutoxy)-2-methylidene-1H-naphthalene?
The IUPAC name of 7-(4,4-dimethoxybutoxy)-2-methylidene-1H-naphthalene (CID 161236557) is 7-(4,4-dimethoxybutoxy)-2-methylidene-1H-naphthalene.
What is the SMILES notation for 7-(4,4-dimethoxybutoxy)-2-methylidene-1H-naphthalene?
The canonical SMILES for 7-(4,4-dimethoxybutoxy)-2-methylidene-1H-naphthalene is C=C1C=Cc2ccc(OCCCC(OC)OC)cc2C1.
What is the InChIKey of 7-(4,4-dimethoxybutoxy)-2-methylidene-1H-naphthalene?
The InChIKey is UZLFZURZSMPMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O3/c1-13-6-7-14-8-9-16(12-15(14)11-13)20-10-4-5-17(18-2)19-3/h6-9,12,17H,1,4-5,10-11H2,2-3H3.
What are the key properties of 7-(4,4-dimethoxybutoxy)-2-methylidene-1H-naphthalene?
7-(4,4-dimethoxybutoxy)-2-methylidene-1H-naphthalene has a molecular weight of 274.36 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,4-dimethoxybutoxy)-2-methylidene-1H-naphthalene is sourced from PubChem (CID 161236557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).