[(4R,6R)-6,10-dimethylundec-9-en-4-yl] 2-methoxy-2-naphthalen-2-ylacetate

C26H36O3 — CID 100927081

IUPAC[(4R,6R)-6,10-dimethylundec-9-en-4-yl] 2-methoxy-2-naphthalen-2-ylacetate
SMILESCCC[C@H](C[C@H](C)CCC=C(C)C)OC(=O)C(OC)c1ccc2ccccc2c1
InChIInChI=1S/C26H36O3/c1-6-10-24(17-20(4)12-9-11-19(2)3)29-26(27)25(28-5)23-16-15-21-13-7-8-14-22(21)18-23/h7-8,11,13-16,18,20,24-25H,6,9-10,12,17H2,1-5H3/t20-,24-,25?/m1/s1
InChIKeyIDFDAKHJDIQDLF-XPTUZCQZSA-N
MW396.57 g/mol
LogP7.01
Rot. Bonds11

About [(4R,6R)-6,10-dimethylundec-9-en-4-yl] 2-methoxy-2-naphthalen-2-ylacetate

[(4R,6R)-6,10-dimethylundec-9-en-4-yl] 2-methoxy-2-naphthalen-2-ylacetate (PubChem CID 100927081) has the molecular formula C26H36O3 and a molecular weight of 396.57 g/mol. Its IUPAC name is [(4R,6R)-6,10-dimethylundec-9-en-4-yl] 2-methoxy-2-naphthalen-2-ylacetate.

Molecular Properties

Compound Name[(4R,6R)-6,10-dimethylundec-9-en-4-yl] 2-methoxy-2-naphthalen-2-ylacetate
PubChem CID100927081
Molecular FormulaC26H36O3
Molecular Weight396.57 g/mol
Exact Mass396.27
IUPAC Name[(4R,6R)-6,10-dimethylundec-9-en-4-yl] 2-methoxy-2-naphthalen-2-ylacetate
SMILESCCC[C@H](C[C@H](C)CCC=C(C)C)OC(=O)C(OC)c1ccc2ccccc2c1
InChIInChI=1S/C26H36O3/c1-6-10-24(17-20(4)12-9-11-19(2)3)29-26(27)25(28-5)23-16-15-21-13-7-8-14-22(21)18-23/h7-8,11,13-16,18,20,24-25H,6,9-10,12,17H2,1-5H3/t20-,24-,25?/m1/s1
InChIKeyIDFDAKHJDIQDLF-XPTUZCQZSA-N
XLogP7.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.57
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(4R,6R)-6,10-dimethylundec-9-en-4-yl] 2-methoxy-2-naphthalen-2-ylacetate with MolForge

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Related Compounds

(1-iodo-7-methylsulfonyloxyheptan-4-yl) 2-methoxy-2-naphthalen-2-ylacetate
CID 11800451
1-(3-methoxyphenyl)-3,7-dimethyloct-6-en-1-ol
CID 14977112
diethyl 2,3-dinaphthalen-2-ylbutanedioate
CID 611707
[(3S)-hexan-3-yl] (2S)-2-methoxy-2-naphthalen-1-ylacetate
CID 102533735
3-methyl-1-naphthalen-2-ylbutan-1-ol
CID 62717256
1-naphthalen-2-ylethyl pentanoate
CID 46886522
dimethyl 2-[(1R)-1-naphthalen-2-ylethyl]propanedioate
CID 101238561
ethyl (3R)-3-amino-2-fluoro-3-naphthalen-2-ylpropanoate
CID 171240068
1-methoxy-1-[(1R)-1-naphthalen-2-ylethoxy]butan-2-one
CID 101017960
ethyl (E,5S)-5-hydroxy-2-methyl-5-naphthalen-2-ylpent-2-enoate
CID 12024300
[(1R)-1-naphthalen-2-ylpropyl] acetate
CID 58079221
(1S)-1-naphthalen-2-ylbutan-1-amine
CID 55254735

Frequently Asked Questions

What is the IUPAC name of [(4R,6R)-6,10-dimethylundec-9-en-4-yl] 2-methoxy-2-naphthalen-2-ylacetate?
The IUPAC name of [(4R,6R)-6,10-dimethylundec-9-en-4-yl] 2-methoxy-2-naphthalen-2-ylacetate (CID 100927081) is [(4R,6R)-6,10-dimethylundec-9-en-4-yl] 2-methoxy-2-naphthalen-2-ylacetate.
What is the SMILES notation for [(4R,6R)-6,10-dimethylundec-9-en-4-yl] 2-methoxy-2-naphthalen-2-ylacetate?
The canonical SMILES for [(4R,6R)-6,10-dimethylundec-9-en-4-yl] 2-methoxy-2-naphthalen-2-ylacetate is CCC[C@H](C[C@H](C)CCC=C(C)C)OC(=O)C(OC)c1ccc2ccccc2c1.
What is the InChIKey of [(4R,6R)-6,10-dimethylundec-9-en-4-yl] 2-methoxy-2-naphthalen-2-ylacetate?
The InChIKey is IDFDAKHJDIQDLF-XPTUZCQZSA-N. The full InChI is InChI=1S/C26H36O3/c1-6-10-24(17-20(4)12-9-11-19(2)3)29-26(27)25(28-5)23-16-15-21-13-7-8-14-22(21)18-23/h7-8,11,13-16,18,20,24-25H,6,9-10,12,17H2,1-5H3/t20-,24-,25?/m1/s1.
What are the key properties of [(4R,6R)-6,10-dimethylundec-9-en-4-yl] 2-methoxy-2-naphthalen-2-ylacetate?
[(4R,6R)-6,10-dimethylundec-9-en-4-yl] 2-methoxy-2-naphthalen-2-ylacetate has a molecular weight of 396.57 g/mol, XLogP of 7.01, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,6R)-6,10-dimethylundec-9-en-4-yl] 2-methoxy-2-naphthalen-2-ylacetate is sourced from PubChem (CID 100927081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).