1-(1,4,5,8-tetramethoxynaphthalen-2-yl)decan-1-one

C24H34O5 — CID 10834959

IUPAC1-(1,4,5,8-tetramethoxynaphthalen-2-yl)decan-1-one
SMILESCCCCCCCCCC(=O)c1cc(OC)c2c(OC)ccc(OC)c2c1OC
InChIInChI=1S/C24H34O5/c1-6-7-8-9-10-11-12-13-18(25)17-16-21(28-4)22-19(26-2)14-15-20(27-3)23(22)24(17)29-5/h14-16H,6-13H2,1-5H3
InChIKeyUOHFZPPUYOXBIK-UHFFFAOYSA-N
MW402.53 g/mol
LogP6.20
Rot. Bonds13

About 1-(1,4,5,8-tetramethoxynaphthalen-2-yl)decan-1-one

1-(1,4,5,8-tetramethoxynaphthalen-2-yl)decan-1-one (PubChem CID 10834959) has the molecular formula C24H34O5 and a molecular weight of 402.53 g/mol. Its IUPAC name is 1-(1,4,5,8-tetramethoxynaphthalen-2-yl)decan-1-one.

Molecular Properties

Compound Name1-(1,4,5,8-tetramethoxynaphthalen-2-yl)decan-1-one
PubChem CID10834959
Molecular FormulaC24H34O5
Molecular Weight402.53 g/mol
Exact Mass402.24
IUPAC Name1-(1,4,5,8-tetramethoxynaphthalen-2-yl)decan-1-one
SMILESCCCCCCCCCC(=O)c1cc(OC)c2c(OC)ccc(OC)c2c1OC
InChIInChI=1S/C24H34O5/c1-6-7-8-9-10-11-12-13-18(25)17-16-21(28-4)22-19(26-2)14-15-20(27-3)23(22)24(17)29-5/h14-16H,6-13H2,1-5H3
InChIKeyUOHFZPPUYOXBIK-UHFFFAOYSA-N
XLogP6.20
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.53
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-(1,4,5,8-tetramethoxynaphthalen-2-yl)undecylideneamino] propanoate
CID 142629404
[1-(1,4,5,8-tetramethoxynaphthalen-2-yl)propylideneamino] decanoate
CID 142629384
N-propoxy-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)tridecan-1-imine
CID 142629408
N-propoxy-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)nonan-1-imine
CID 142629347
1-(4,5-diamino-2-methoxyphenyl)octadecan-1-one
CID 154279335
1-(2-methoxy-5-methylphenyl)undecan-1-one
CID 114968931
6-decanoyl-5,8-dimethoxynaphthalene-1,4-dione
CID 10809297
1-(5-chloro-2-methoxyphenyl)octan-1-one
CID 112698728
1-(3,4,5-trimethoxyphenyl)octan-1-one
CID 114966527
1-(2-methoxyphenyl)undecan-1-one
CID 63411736
1-(5-fluoro-2-methoxyphenyl)hexan-1-one
CID 43161521
1-(5-chloro-2-methoxyphenyl)hexan-1-one
CID 57310982

Frequently Asked Questions

What is the IUPAC name of 1-(1,4,5,8-tetramethoxynaphthalen-2-yl)decan-1-one?
The IUPAC name of 1-(1,4,5,8-tetramethoxynaphthalen-2-yl)decan-1-one (CID 10834959) is 1-(1,4,5,8-tetramethoxynaphthalen-2-yl)decan-1-one.
What is the SMILES notation for 1-(1,4,5,8-tetramethoxynaphthalen-2-yl)decan-1-one?
The canonical SMILES for 1-(1,4,5,8-tetramethoxynaphthalen-2-yl)decan-1-one is CCCCCCCCCC(=O)c1cc(OC)c2c(OC)ccc(OC)c2c1OC.
What is the InChIKey of 1-(1,4,5,8-tetramethoxynaphthalen-2-yl)decan-1-one?
The InChIKey is UOHFZPPUYOXBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O5/c1-6-7-8-9-10-11-12-13-18(25)17-16-21(28-4)22-19(26-2)14-15-20(27-3)23(22)24(17)29-5/h14-16H,6-13H2,1-5H3.
What are the key properties of 1-(1,4,5,8-tetramethoxynaphthalen-2-yl)decan-1-one?
1-(1,4,5,8-tetramethoxynaphthalen-2-yl)decan-1-one has a molecular weight of 402.53 g/mol, XLogP of 6.20, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4,5,8-tetramethoxynaphthalen-2-yl)decan-1-one is sourced from PubChem (CID 10834959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).