methyl 2-[(1R)-1,2-dimethylcyclopent-2-en-1-yl]acetate

C10H16O2 — CID 162420341

IUPACmethyl 2-[(1R)-1,2-dimethylcyclopent-2-en-1-yl]acetate
SMILESCOC(=O)C[C@@]1(C)CCC=C1C
InChIInChI=1S/C10H16O2/c1-8-5-4-6-10(8,2)7-9(11)12-3/h5H,4,6-7H2,1-3H3/t10-/m1/s1
InChIKeyBRFRMHHXZCHABO-SNVBAGLBSA-N
MW168.24 g/mol
LogP2.30
Rot. Bonds2

About methyl 2-[(1R)-1,2-dimethylcyclopent-2-en-1-yl]acetate

methyl 2-[(1R)-1,2-dimethylcyclopent-2-en-1-yl]acetate (PubChem CID 162420341) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is methyl 2-[(1R)-1,2-dimethylcyclopent-2-en-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1R)-1,2-dimethylcyclopent-2-en-1-yl]acetate
PubChem CID162420341
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namemethyl 2-[(1R)-1,2-dimethylcyclopent-2-en-1-yl]acetate
SMILESCOC(=O)C[C@@]1(C)CCC=C1C
InChIInChI=1S/C10H16O2/c1-8-5-4-6-10(8,2)7-9(11)12-3/h5H,4,6-7H2,1-3H3/t10-/m1/s1
InChIKeyBRFRMHHXZCHABO-SNVBAGLBSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.30
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

Methyl rhodinolate
CID 61290
Hexanoic acid, 3,7-dimethyl-6-octen-1-yl ester
CID 114416
Citronellyl valerate
CID 61416
Methyl chrysanthemate
CID 91127
2-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester
CID 119800
Campholene acetate
CID 21149427
Methyl 1-methylcyclohex-3-ene-1-carboxylate
CID 110867
2-Cyclopentene-1-acetic acid, ethyl ester
CID 10877336
2-(2,2,3-Trimethylcyclopent-3-en-1-yl)acetic acid
CID 117235
3-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester
CID 12082921
2-Cyclopentene-1-acetic acid, 2-ethylbutyl ester
CID 21149847
alpha-Campholene acetate
CID 61270

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1R)-1,2-dimethylcyclopent-2-en-1-yl]acetate?
The IUPAC name of methyl 2-[(1R)-1,2-dimethylcyclopent-2-en-1-yl]acetate (CID 162420341) is methyl 2-[(1R)-1,2-dimethylcyclopent-2-en-1-yl]acetate.
What is the SMILES notation for methyl 2-[(1R)-1,2-dimethylcyclopent-2-en-1-yl]acetate?
The canonical SMILES for methyl 2-[(1R)-1,2-dimethylcyclopent-2-en-1-yl]acetate is COC(=O)C[C@@]1(C)CCC=C1C.
What is the InChIKey of methyl 2-[(1R)-1,2-dimethylcyclopent-2-en-1-yl]acetate?
The InChIKey is BRFRMHHXZCHABO-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H16O2/c1-8-5-4-6-10(8,2)7-9(11)12-3/h5H,4,6-7H2,1-3H3/t10-/m1/s1.
What are the key properties of methyl 2-[(1R)-1,2-dimethylcyclopent-2-en-1-yl]acetate?
methyl 2-[(1R)-1,2-dimethylcyclopent-2-en-1-yl]acetate has a molecular weight of 168.24 g/mol, XLogP of 2.30, 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-dimethylcyclopent-2-en-1-yl]acetate is sourced from PubChem (CID 162420341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).