2-[(1S,3R)-1-ethyl-3-methylcyclopentyl]acetate

C10H17O2- — CID 59059766

IUPAC2-[(1S,3R)-1-ethyl-3-methylcyclopentyl]acetate
SMILESCC[C@]1(CC(=O)[O-])CC[C@@H](C)C1
InChIInChI=1S/C10H18O2/c1-3-10(7-9(11)12)5-4-8(2)6-10/h8H,3-7H2,1-2H3,(H,11,12)/p-1/t8-,10+/m1/s1
InChIKeyIIGQIXBIWKSBKO-SCZZXKLOSA-M
MW169.24 g/mol
LogP1.34
Rot. Bonds3

About 2-[(1S,3R)-1-ethyl-3-methylcyclopentyl]acetate

2-[(1S,3R)-1-ethyl-3-methylcyclopentyl]acetate (PubChem CID 59059766) has the molecular formula C10H17O2- and a molecular weight of 169.24 g/mol. Its IUPAC name is 2-[(1S,3R)-1-ethyl-3-methylcyclopentyl]acetate.

Molecular Properties

Compound Name2-[(1S,3R)-1-ethyl-3-methylcyclopentyl]acetate
PubChem CID59059766
Molecular FormulaC10H17O2-
Molecular Weight169.24 g/mol
Exact Mass169.12
IUPAC Name2-[(1S,3R)-1-ethyl-3-methylcyclopentyl]acetate
SMILESCC[C@]1(CC(=O)[O-])CC[C@@H](C)C1
InChIInChI=1S/C10H18O2/c1-3-10(7-9(11)12)5-4-8(2)6-10/h8H,3-7H2,1-2H3,(H,11,12)/p-1/t8-,10+/m1/s1
InChIKeyIIGQIXBIWKSBKO-SCZZXKLOSA-M
XLogP1.34
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S)-1-ethyl-3-methylcyclopentyl]methanamine
CID 142068635
1-ethyl-3-methyl-1-(2-methylpropyl)cyclopentane
CID 123256841
2-[(3S)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid
CID 46227593
ethane;1-(1-ethyl-3-methylcyclopentyl)-N-methylmethanamine
CID 144836512
1,1-diethyl-3-methylcyclohexane
CID 19090157
2-[(1R,3R)-1-benzyl-3-methylcyclopentyl]acetic acid
CID 58626987
2-[(1S,3R)-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentyl]acetic acid
CID 58626989
1,1-diethyl-3,5-dimethylcyclohexane
CID 91010762
1,1-diethyl-3-methylcyclobutane;methane
CID 171820543
methyl 2-[1-(2-methoxy-2-oxoethyl)-3-methylcyclohexyl]acetate
CID 101326115
2-[(1S,3R)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid;bis((3R)-1,1-diethyl-3-methylcyclopentane);2-[(1R,3R)-1-ethyl-3-methylcyclopentyl]acetic acid;bis(2-[(1S,3R)-1-ethyl-3-methylcyclopentyl]acetic acid);N-[[(1S,3R)-1-ethyl-3-methylcyclopentyl]methyl]acetamide;trans-(1S,3R)-1-ethyl-1-(isocyanatomethyl)-3-methylcyclopentane
CID 159619160
2-[(1R,3R)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid;cis-(1R,3R)-1-ethyl-1-(isocyanatomethyl)-3-methylcyclopentane;(3R)-1,1-diethyl-3-methylcyclopentane;2-[(1R,3R)-1-ethyl-3-methylcyclopentyl]acetic acid;2-[(1S,3R)-1-ethyl-3-methylcyclopentyl]acetic acid;N-[[(1R,3R)-1-ethyl-3-methylcyclopentyl]methyl]acetamide;hydrochloride
CID 158911630

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,3R)-1-ethyl-3-methylcyclopentyl]acetate?
The IUPAC name of 2-[(1S,3R)-1-ethyl-3-methylcyclopentyl]acetate (CID 59059766) is 2-[(1S,3R)-1-ethyl-3-methylcyclopentyl]acetate.
What is the SMILES notation for 2-[(1S,3R)-1-ethyl-3-methylcyclopentyl]acetate?
The canonical SMILES for 2-[(1S,3R)-1-ethyl-3-methylcyclopentyl]acetate is CC[C@]1(CC(=O)[O-])CC[C@@H](C)C1.
What is the InChIKey of 2-[(1S,3R)-1-ethyl-3-methylcyclopentyl]acetate?
The InChIKey is IIGQIXBIWKSBKO-SCZZXKLOSA-M. The full InChI is InChI=1S/C10H18O2/c1-3-10(7-9(11)12)5-4-8(2)6-10/h8H,3-7H2,1-2H3,(H,11,12)/p-1/t8-,10+/m1/s1.
What are the key properties of 2-[(1S,3R)-1-ethyl-3-methylcyclopentyl]acetate?
2-[(1S,3R)-1-ethyl-3-methylcyclopentyl]acetate has a molecular weight of 169.24 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,3R)-1-ethyl-3-methylcyclopentyl]acetate is sourced from PubChem (CID 59059766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).