[(3S)-3-methyldecyl] (2S)-2-methoxy-2-naphthalen-1-ylacetate

C24H34O3 — CID 24796642

IUPAC[(3S)-3-methyldecyl] (2S)-2-methoxy-2-naphthalen-1-ylacetate
SMILESCCCCCCC[C@H](C)CCOC(=O)[C@@H](OC)c1cccc2ccccc12
InChIInChI=1S/C24H34O3/c1-4-5-6-7-8-12-19(2)17-18-27-24(25)23(26-3)22-16-11-14-20-13-9-10-15-21(20)22/h9-11,13-16,19,23H,4-8,12,17-18H2,1-3H3/t19-,23-/m0/s1
InChIKeyZNPZOKJXFIGMNL-CVDCTZTESA-N
MW370.53 g/mol
LogP6.46
Rot. Bonds12

About [(3S)-3-methyldecyl] (2S)-2-methoxy-2-naphthalen-1-ylacetate

[(3S)-3-methyldecyl] (2S)-2-methoxy-2-naphthalen-1-ylacetate (PubChem CID 24796642) has the molecular formula C24H34O3 and a molecular weight of 370.53 g/mol. Its IUPAC name is [(3S)-3-methyldecyl] (2S)-2-methoxy-2-naphthalen-1-ylacetate.

Molecular Properties

Compound Name[(3S)-3-methyldecyl] (2S)-2-methoxy-2-naphthalen-1-ylacetate
PubChem CID24796642
Molecular FormulaC24H34O3
Molecular Weight370.53 g/mol
Exact Mass370.25
IUPAC Name[(3S)-3-methyldecyl] (2S)-2-methoxy-2-naphthalen-1-ylacetate
SMILESCCCCCCC[C@H](C)CCOC(=O)[C@@H](OC)c1cccc2ccccc12
InChIInChI=1S/C24H34O3/c1-4-5-6-7-8-12-19(2)17-18-27-24(25)23(26-3)22-16-11-14-20-13-9-10-15-21(20)22/h9-11,13-16,19,23H,4-8,12,17-18H2,1-3H3/t19-,23-/m0/s1
InChIKeyZNPZOKJXFIGMNL-CVDCTZTESA-N
XLogP6.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.53
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(3S)-3-methyldecyl] (2S)-2-methoxy-2-naphthalen-1-ylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-hexan-2-yl] (2S)-2-methoxy-2-naphthalen-1-ylacetate
CID 102533731
[(2S)-pentan-2-yl] (2R)-2-methoxy-2-naphthalen-1-ylacetate
CID 102533727
[(3S)-hexan-3-yl] (2S)-2-methoxy-2-naphthalen-1-ylacetate
CID 102533735
2-naphthalen-1-yldodecanoic acid
CID 23333439
5-naphthalen-1-ylheptadecan-2-one
CID 142778100
1-tetracosan-9-ylnaphthalene
CID 175897855
1-hexadecan-6-ylnaphthalene
CID 14029925
1-(2-methylhexadecyl)naphthalene
CID 139758361
2-heptoxy-1-naphthalen-1-ylethanamine
CID 43127496
(1R)-1-naphthalen-1-ylhexan-1-amine
CID 171212033
2-decyldodecyl 2-methoxy-2-phenylacetate
CID 129279281
1-octacosan-4-ylnaphthalene
CID 54149804

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-methyldecyl] (2S)-2-methoxy-2-naphthalen-1-ylacetate?
The IUPAC name of [(3S)-3-methyldecyl] (2S)-2-methoxy-2-naphthalen-1-ylacetate (CID 24796642) is [(3S)-3-methyldecyl] (2S)-2-methoxy-2-naphthalen-1-ylacetate.
What is the SMILES notation for [(3S)-3-methyldecyl] (2S)-2-methoxy-2-naphthalen-1-ylacetate?
The canonical SMILES for [(3S)-3-methyldecyl] (2S)-2-methoxy-2-naphthalen-1-ylacetate is CCCCCCC[C@H](C)CCOC(=O)[C@@H](OC)c1cccc2ccccc12.
What is the InChIKey of [(3S)-3-methyldecyl] (2S)-2-methoxy-2-naphthalen-1-ylacetate?
The InChIKey is ZNPZOKJXFIGMNL-CVDCTZTESA-N. The full InChI is InChI=1S/C24H34O3/c1-4-5-6-7-8-12-19(2)17-18-27-24(25)23(26-3)22-16-11-14-20-13-9-10-15-21(20)22/h9-11,13-16,19,23H,4-8,12,17-18H2,1-3H3/t19-,23-/m0/s1.
What are the key properties of [(3S)-3-methyldecyl] (2S)-2-methoxy-2-naphthalen-1-ylacetate?
[(3S)-3-methyldecyl] (2S)-2-methoxy-2-naphthalen-1-ylacetate has a molecular weight of 370.53 g/mol, XLogP of 6.46, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-methyldecyl] (2S)-2-methoxy-2-naphthalen-1-ylacetate is sourced from PubChem (CID 24796642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).