methyl (2R)-2-(cycloheptylmethoxy)-4-methylpentanoate

C15H28O3 — CID 114282489

IUPACmethyl (2R)-2-(cycloheptylmethoxy)-4-methylpentanoate
SMILESCOC(=O)[C@@H](CC(C)C)OCC1CCCCCC1
InChIInChI=1S/C15H28O3/c1-12(2)10-14(15(16)17-3)18-11-13-8-6-4-5-7-9-13/h12-14H,4-11H2,1-3H3/t14-/m1/s1
InChIKeyIIMPSAPGFJRJQS-CQSZACIVSA-N
MW256.39 g/mol
LogP3.56
Rot. Bonds6

About methyl (2R)-2-(cycloheptylmethoxy)-4-methylpentanoate

methyl (2R)-2-(cycloheptylmethoxy)-4-methylpentanoate (PubChem CID 114282489) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is methyl (2R)-2-(cycloheptylmethoxy)-4-methylpentanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(cycloheptylmethoxy)-4-methylpentanoate
PubChem CID114282489
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Namemethyl (2R)-2-(cycloheptylmethoxy)-4-methylpentanoate
SMILESCOC(=O)[C@@H](CC(C)C)OCC1CCCCCC1
InChIInChI=1S/C15H28O3/c1-12(2)10-14(15(16)17-3)18-11-13-8-6-4-5-7-9-13/h12-14H,4-11H2,1-3H3/t14-/m1/s1
InChIKeyIIMPSAPGFJRJQS-CQSZACIVSA-N
XLogP3.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylmethoxy)propanehydrazide
CID 66321450
methyl (2S)-2-acetyloxy-2-(cyclohexylmethoxy)acetate
CID 101037730
1-O-(cyclopentylmethyl) 3-O-methyl 2-methylpropanedioate
CID 174748990
3-amino-2-(cyclohexylmethoxy)propanoic acid
CID 64695056
2-(cyclopentylmethoxy)butanoic acid
CID 66324485
3-amino-2-(cyclopentylmethoxy)propanoic acid
CID 66322940
N-tert-butyl-3-cyclopentyl-2-(cyclopentylmethoxy)propanamide
CID 20790258
3-cyclobutyl-2-(cyclopentylmethoxy)-N-ethylpropanamide
CID 70911148
dimethyl 2-(cyclohexylmethyl)propanedioate
CID 22460415
2-(cyclopentylmethoxy)propanoic acid
CID 66322360
methyl (2R)-2-amino-4-cyclohexylbutanoate
CID 150785903
(2R)-2-(cyclohexylmethoxy)pentan-3-one
CID 163532136

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(cycloheptylmethoxy)-4-methylpentanoate?
The IUPAC name of methyl (2R)-2-(cycloheptylmethoxy)-4-methylpentanoate (CID 114282489) is methyl (2R)-2-(cycloheptylmethoxy)-4-methylpentanoate.
What is the SMILES notation for methyl (2R)-2-(cycloheptylmethoxy)-4-methylpentanoate?
The canonical SMILES for methyl (2R)-2-(cycloheptylmethoxy)-4-methylpentanoate is COC(=O)[C@@H](CC(C)C)OCC1CCCCCC1.
What is the InChIKey of methyl (2R)-2-(cycloheptylmethoxy)-4-methylpentanoate?
The InChIKey is IIMPSAPGFJRJQS-CQSZACIVSA-N. The full InChI is InChI=1S/C15H28O3/c1-12(2)10-14(15(16)17-3)18-11-13-8-6-4-5-7-9-13/h12-14H,4-11H2,1-3H3/t14-/m1/s1.
What are the key properties of methyl (2R)-2-(cycloheptylmethoxy)-4-methylpentanoate?
methyl (2R)-2-(cycloheptylmethoxy)-4-methylpentanoate has a molecular weight of 256.39 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(cycloheptylmethoxy)-4-methylpentanoate is sourced from PubChem (CID 114282489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).