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

C19H24O3 — CID 102533735

IUPAC[(3S)-hexan-3-yl] (2S)-2-methoxy-2-naphthalen-1-ylacetate
SMILESCCC[C@H](CC)OC(=O)[C@@H](OC)c1cccc2ccccc12
InChIInChI=1S/C19H24O3/c1-4-9-15(5-2)22-19(20)18(21-3)17-13-8-11-14-10-6-7-12-16(14)17/h6-8,10-13,15,18H,4-5,9H2,1-3H3/t15-,18-/m0/s1
InChIKeyXBPOZMXRNREEDT-YJBOKZPZSA-N
MW300.40 g/mol
LogP4.65
Rot. Bonds7

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

[(3S)-hexan-3-yl] (2S)-2-methoxy-2-naphthalen-1-ylacetate (PubChem CID 102533735) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is [(3S)-hexan-3-yl] (2S)-2-methoxy-2-naphthalen-1-ylacetate.

Molecular Properties

Compound Name[(3S)-hexan-3-yl] (2S)-2-methoxy-2-naphthalen-1-ylacetate
PubChem CID102533735
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Name[(3S)-hexan-3-yl] (2S)-2-methoxy-2-naphthalen-1-ylacetate
SMILESCCC[C@H](CC)OC(=O)[C@@H](OC)c1cccc2ccccc12
InChIInChI=1S/C19H24O3/c1-4-9-15(5-2)22-19(20)18(21-3)17-13-8-11-14-10-6-7-12-16(14)17/h6-8,10-13,15,18H,4-5,9H2,1-3H3/t15-,18-/m0/s1
InChIKeyXBPOZMXRNREEDT-YJBOKZPZSA-N
XLogP4.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3S)-hexan-3-yl] (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

Frequently Asked Questions

What is the IUPAC name of [(3S)-hexan-3-yl] (2S)-2-methoxy-2-naphthalen-1-ylacetate?
The IUPAC name of [(3S)-hexan-3-yl] (2S)-2-methoxy-2-naphthalen-1-ylacetate (CID 102533735) is [(3S)-hexan-3-yl] (2S)-2-methoxy-2-naphthalen-1-ylacetate.
What is the SMILES notation for [(3S)-hexan-3-yl] (2S)-2-methoxy-2-naphthalen-1-ylacetate?
The canonical SMILES for [(3S)-hexan-3-yl] (2S)-2-methoxy-2-naphthalen-1-ylacetate is CCC[C@H](CC)OC(=O)[C@@H](OC)c1cccc2ccccc12.
What is the InChIKey of [(3S)-hexan-3-yl] (2S)-2-methoxy-2-naphthalen-1-ylacetate?
The InChIKey is XBPOZMXRNREEDT-YJBOKZPZSA-N. The full InChI is InChI=1S/C19H24O3/c1-4-9-15(5-2)22-19(20)18(21-3)17-13-8-11-14-10-6-7-12-16(14)17/h6-8,10-13,15,18H,4-5,9H2,1-3H3/t15-,18-/m0/s1.
What are the key properties of [(3S)-hexan-3-yl] (2S)-2-methoxy-2-naphthalen-1-ylacetate?
[(3S)-hexan-3-yl] (2S)-2-methoxy-2-naphthalen-1-ylacetate has a molecular weight of 300.40 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-hexan-3-yl] (2S)-2-methoxy-2-naphthalen-1-ylacetate is sourced from PubChem (CID 102533735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).