methyl (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-propan-2-ylcyclopentane-1-carboxylate

C15H26O4 — CID 56595628

IUPACmethyl (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-propan-2-ylcyclopentane-1-carboxylate
SMILESCOC(=O)[C@]1(CC2OCCO2)[C@H](C)CC[C@@H]1C(C)C
InChIInChI=1S/C15H26O4/c1-10(2)12-6-5-11(3)15(12,14(16)17-4)9-13-18-7-8-19-13/h10-13H,5-9H2,1-4H3/t11-,12-,15-/m1/s1
InChIKeyJZWOSHIYAMOJQN-LALPHHSUSA-N
MW270.37 g/mol
LogP2.61
Rot. Bonds4

About methyl (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-propan-2-ylcyclopentane-1-carboxylate

methyl (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-propan-2-ylcyclopentane-1-carboxylate (PubChem CID 56595628) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-propan-2-ylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-propan-2-ylcyclopentane-1-carboxylate
PubChem CID56595628
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Namemethyl (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-propan-2-ylcyclopentane-1-carboxylate
SMILESCOC(=O)[C@]1(CC2OCCO2)[C@H](C)CC[C@@H]1C(C)C
InChIInChI=1S/C15H26O4/c1-10(2)12-6-5-11(3)15(12,14(16)17-4)9-13-18-7-8-19-13/h10-13H,5-9H2,1-4H3/t11-,12-,15-/m1/s1
InChIKeyJZWOSHIYAMOJQN-LALPHHSUSA-N
XLogP2.61
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-propan-2-ylcyclopentane-1-carboxylate with MolForge

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Related Compounds

(3aS,6R,6aR)-6a-(1,3-dioxolan-2-ylmethyl)-3,3,6-trimethyl-3a,4,5,6-tetrahydrocyclopenta[c]furan-1-one
CID 56595625
(5R,6S)-6-tert-butyl-3-methoxy-2-oxaspiro[4.4]nonan-9-one
CID 13990670
(1r,4s)-2-((2,2,4-Trimethyl-3-oxocyclopentyl)methyl)-1,3-dioxolan
CID 15143303
(1r,4r)-2-((2,2,4-Trimethyl-3-oxocyclopentyl)methyl)-1,3-dioxolan
CID 15143304
3-[(1,3-Dioxolan-2-yl)methyl]-2,2,5-trimethylcyclopentan-1-one
CID 15143305
Ethyl 2-(1,3-dioxolan-2-yl)cyclopentane-1-carboxylate
CID 135037698
7-Dimethoxymethylbicyclo[2.2.1]heptane-1-carboxylic acid, methyl ester
CID 554827
methyl (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate
CID 56595627
Methyl 8,8-ethylenedioxy-4,4-dimethyl-1alpha,5alpha-bicyclo(3.3.0)octane-2beta-carboxylate
CID 101618200
Ethyl 3-(diethoxymethyl)bicyclo[2.2.1]heptane-2-carboxylate
CID 12800684
Ethyl 3-(1,3-dioxolan-2-yl)bicyclo[2.2.1]heptane-2-carboxylate
CID 14254581
1-Ethoxyethyl 4-methyl-2-propylcyclopentane-1-carboxylate
CID 20661402

Frequently Asked Questions

What is the IUPAC name of methyl (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-propan-2-ylcyclopentane-1-carboxylate?
The IUPAC name of methyl (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-propan-2-ylcyclopentane-1-carboxylate (CID 56595628) is methyl (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-propan-2-ylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-propan-2-ylcyclopentane-1-carboxylate?
The canonical SMILES for methyl (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-propan-2-ylcyclopentane-1-carboxylate is COC(=O)[C@]1(CC2OCCO2)[C@H](C)CC[C@@H]1C(C)C.
What is the InChIKey of methyl (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-propan-2-ylcyclopentane-1-carboxylate?
The InChIKey is JZWOSHIYAMOJQN-LALPHHSUSA-N. The full InChI is InChI=1S/C15H26O4/c1-10(2)12-6-5-11(3)15(12,14(16)17-4)9-13-18-7-8-19-13/h10-13H,5-9H2,1-4H3/t11-,12-,15-/m1/s1.
What are the key properties of methyl (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-propan-2-ylcyclopentane-1-carboxylate?
methyl (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-propan-2-ylcyclopentane-1-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-propan-2-ylcyclopentane-1-carboxylate is sourced from PubChem (CID 56595628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).