cyclopentylmethyl 2-methoxyacetate;molecular hydrogen

C9H18O3 — CID 161365389

IUPACcyclopentylmethyl 2-methoxyacetate;molecular hydrogen
SMILESCOCC(=O)OCC1CCCC1.[H][H]
InChIInChI=1S/C9H16O3.H2/c1-11-7-9(10)12-6-8-4-2-3-5-8;/h8H,2-7H2,1H3;1H
InChIKeyVPSZKMDXRANGIO-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.61
Rot. Bonds4

About cyclopentylmethyl 2-methoxyacetate;molecular hydrogen

cyclopentylmethyl 2-methoxyacetate;molecular hydrogen (PubChem CID 161365389) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is cyclopentylmethyl 2-methoxyacetate;molecular hydrogen.

Molecular Properties

Compound Namecyclopentylmethyl 2-methoxyacetate;molecular hydrogen
PubChem CID161365389
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Namecyclopentylmethyl 2-methoxyacetate;molecular hydrogen
SMILESCOCC(=O)OCC1CCCC1.[H][H]
InChIInChI=1S/C9H16O3.H2/c1-11-7-9(10)12-6-8-4-2-3-5-8;/h8H,2-7H2,1H3;1H
InChIKeyVPSZKMDXRANGIO-UHFFFAOYSA-N
XLogP1.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(cyclohexylmethoxy)-2-oxoethoxy]phosphinous acid
CID 123511485
3-(cyclohexylmethoxy)-3-oxopropanoic acid
CID 19378623
[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl 2-methoxyacetate
CID 6541326
bis(cyclopentylmethyl) 2-methylpropanedioate
CID 174545990
cyclopentylmethyl 2-methylpropanoate
CID 21063892
2-(cyclopentylmethoxy)-2-oxoethanesulfonic acid
CID 129061918
cyclopentylmethyl 2-(cyclopropylmethylamino)acetate
CID 66323510
cyclopropylmethyl 2-[(2-methylpropan-2-yl)oxy]acetate
CID 23518864
cycloheptylmethyl hexanoate
CID 54549126
cycloheptylmethyl tridecanoate
CID 54548120
cycloheptylmethyl 2-(cyclopropylmethylamino)acetate
CID 114248573
cyclohexylmethyl but-3-enoate
CID 142409081

Frequently Asked Questions

What is the IUPAC name of cyclopentylmethyl 2-methoxyacetate;molecular hydrogen?
The IUPAC name of cyclopentylmethyl 2-methoxyacetate;molecular hydrogen (CID 161365389) is cyclopentylmethyl 2-methoxyacetate;molecular hydrogen.
What is the SMILES notation for cyclopentylmethyl 2-methoxyacetate;molecular hydrogen?
The canonical SMILES for cyclopentylmethyl 2-methoxyacetate;molecular hydrogen is COCC(=O)OCC1CCCC1.[H][H].
What is the InChIKey of cyclopentylmethyl 2-methoxyacetate;molecular hydrogen?
The InChIKey is VPSZKMDXRANGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3.H2/c1-11-7-9(10)12-6-8-4-2-3-5-8;/h8H,2-7H2,1H3;1H.
What are the key properties of cyclopentylmethyl 2-methoxyacetate;molecular hydrogen?
cyclopentylmethyl 2-methoxyacetate;molecular hydrogen has a molecular weight of 174.24 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylmethyl 2-methoxyacetate;molecular hydrogen is sourced from PubChem (CID 161365389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).