1-hepta-1,6-diynyl-2-methoxynaphthalene

C18H16O — CID 46845898

IUPAC1-hepta-1,6-diynyl-2-methoxynaphthalene
SMILESC#CCCCC#Cc1c(OC)ccc2ccccc12
InChIInChI=1S/C18H16O/c1-3-4-5-6-7-12-17-16-11-9-8-10-15(16)13-14-18(17)19-2/h1,8-11,13-14H,4-6H2,2H3
InChIKeyLUWMWHUDKBNJFN-UHFFFAOYSA-N
MW248.32 g/mol
LogP4.00
Rot. Bonds3

About 1-hepta-1,6-diynyl-2-methoxynaphthalene

1-hepta-1,6-diynyl-2-methoxynaphthalene (PubChem CID 46845898) has the molecular formula C18H16O and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-hepta-1,6-diynyl-2-methoxynaphthalene.

Molecular Properties

Compound Name1-hepta-1,6-diynyl-2-methoxynaphthalene
PubChem CID46845898
Molecular FormulaC18H16O
Molecular Weight248.32 g/mol
Exact Mass248.12
IUPAC Name1-hepta-1,6-diynyl-2-methoxynaphthalene
SMILESC#CCCCC#Cc1c(OC)ccc2ccccc12
InChIInChI=1S/C18H16O/c1-3-4-5-6-7-12-17-16-11-9-8-10-15(16)13-14-18(17)19-2/h1,8-11,13-14H,4-6H2,2H3
InChIKeyLUWMWHUDKBNJFN-UHFFFAOYSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-octa-1,7-diynylnaphthalene-2-carboxylate
CID 46845763
3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-yn-1-one
CID 102165233
3-(2-hexoxynaphthalen-1-yl)prop-2-yn-1-ol
CID 61029540
6-(2,6-dimethoxyphenyl)hex-5-yn-1-amine
CID 106208844
3-[2-(2-methylpropoxy)naphthalen-1-yl]prop-2-yn-1-ol
CID 61029183
3-[2-(3-fluoropropoxy)naphthalen-1-yl]prop-2-yn-1-ol
CID 81114610
1-chloro-2-(5-chloropent-1-ynyl)-3-methoxybenzene
CID 131187600
methyl 3-[2-(methoxymethoxy)naphthalen-1-yl]prop-2-ynoate
CID 10869343
4-(2-phenylmethoxynaphthalen-1-yl)but-3-yn-1-ol
CID 61029666
2-methoxy-1-(2-methoxynaphthalen-1-yl)oxynaphthalene
CID 168858344
4-(2-pentan-2-yloxynaphthalen-1-yl)but-3-yn-1-ol
CID 107885344
3-[2-(2,2,2-trifluoroethoxy)naphthalen-1-yl]prop-2-yn-1-ol
CID 61028637

Frequently Asked Questions

What is the IUPAC name of 1-hepta-1,6-diynyl-2-methoxynaphthalene?
The IUPAC name of 1-hepta-1,6-diynyl-2-methoxynaphthalene (CID 46845898) is 1-hepta-1,6-diynyl-2-methoxynaphthalene.
What is the SMILES notation for 1-hepta-1,6-diynyl-2-methoxynaphthalene?
The canonical SMILES for 1-hepta-1,6-diynyl-2-methoxynaphthalene is C#CCCCC#Cc1c(OC)ccc2ccccc12.
What is the InChIKey of 1-hepta-1,6-diynyl-2-methoxynaphthalene?
The InChIKey is LUWMWHUDKBNJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O/c1-3-4-5-6-7-12-17-16-11-9-8-10-15(16)13-14-18(17)19-2/h1,8-11,13-14H,4-6H2,2H3.
What are the key properties of 1-hepta-1,6-diynyl-2-methoxynaphthalene?
1-hepta-1,6-diynyl-2-methoxynaphthalene has a molecular weight of 248.32 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hepta-1,6-diynyl-2-methoxynaphthalene is sourced from PubChem (CID 46845898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).