methyl 2-[(1R)-1,2-dimethyl-3-methylidenecyclopentyl]acetate

C11H18O2 — CID 162420347

IUPACmethyl 2-[(1R)-1,2-dimethyl-3-methylidenecyclopentyl]acetate
SMILESC=C1CC[C@](C)(CC(=O)OC)C1C
InChIInChI=1S/C11H18O2/c1-8-5-6-11(3,9(8)2)7-10(12)13-4/h9H,1,5-7H2,2-4H3/t9?,11-/m1/s1
InChIKeyPCOASPYTNKYQGN-HCCKASOXSA-N
MW182.26 g/mol
LogP2.54
Rot. Bonds2

About methyl 2-[(1R)-1,2-dimethyl-3-methylidenecyclopentyl]acetate

methyl 2-[(1R)-1,2-dimethyl-3-methylidenecyclopentyl]acetate (PubChem CID 162420347) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is methyl 2-[(1R)-1,2-dimethyl-3-methylidenecyclopentyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1R)-1,2-dimethyl-3-methylidenecyclopentyl]acetate
PubChem CID162420347
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Namemethyl 2-[(1R)-1,2-dimethyl-3-methylidenecyclopentyl]acetate
SMILESC=C1CC[C@](C)(CC(=O)OC)C1C
InChIInChI=1S/C11H18O2/c1-8-5-6-11(3,9(8)2)7-10(12)13-4/h9H,1,5-7H2,2-4H3/t9?,11-/m1/s1
InChIKeyPCOASPYTNKYQGN-HCCKASOXSA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Nepetalactone
CID 92770
Cyclohexanecarboxylic acid, 2,2-dimethyl-6-methylene-, methyl ester
CID 11095260
nepetalactone cis-trans-form
CID 161367
4abeta,7alpha,7abeta-Nepetalactone
CID 6431022
4aalpha,7alpha,7abeta-Nepetalactone
CID 442430
Nepetalactone, 4aa,7b, 7ab
CID 6431021
(4aR,7R,7aS)-4,7-dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[c]pyran-1-one
CID 12311117
trans-trans-Nepetalactone
CID 6429144
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 5,6-dimethyl-1-(1-methylethenyl)-, methyl ester
CID 154413761
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 1,6-dimethyl-5-(1-methylethenyl)-, methyl ester
CID 111351
methyl 4-[(1S,2R)-3,3-dimethyl-2-(3-oxobutyl)cyclobutyl]pent-4-enoate
CID 15699320
Methyl 2-methyl-4-methylenecyclopentanecarboxylate
CID 565539

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1R)-1,2-dimethyl-3-methylidenecyclopentyl]acetate?
The IUPAC name of methyl 2-[(1R)-1,2-dimethyl-3-methylidenecyclopentyl]acetate (CID 162420347) is methyl 2-[(1R)-1,2-dimethyl-3-methylidenecyclopentyl]acetate.
What is the SMILES notation for methyl 2-[(1R)-1,2-dimethyl-3-methylidenecyclopentyl]acetate?
The canonical SMILES for methyl 2-[(1R)-1,2-dimethyl-3-methylidenecyclopentyl]acetate is C=C1CC[C@](C)(CC(=O)OC)C1C.
What is the InChIKey of methyl 2-[(1R)-1,2-dimethyl-3-methylidenecyclopentyl]acetate?
The InChIKey is PCOASPYTNKYQGN-HCCKASOXSA-N. The full InChI is InChI=1S/C11H18O2/c1-8-5-6-11(3,9(8)2)7-10(12)13-4/h9H,1,5-7H2,2-4H3/t9?,11-/m1/s1.
What are the key properties of methyl 2-[(1R)-1,2-dimethyl-3-methylidenecyclopentyl]acetate?
methyl 2-[(1R)-1,2-dimethyl-3-methylidenecyclopentyl]acetate has a molecular weight of 182.26 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1R)-1,2-dimethyl-3-methylidenecyclopentyl]acetate is sourced from PubChem (CID 162420347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).