2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl (2R)-2-methylbutanoate

C15H26O2 — CID 163189059

IUPAC2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl (2R)-2-methylbutanoate
SMILESC=C(C)[C@@H]1CC[C@@]1(C)CCOC(=O)[C@H](C)CC
InChIInChI=1S/C15H26O2/c1-6-12(4)14(16)17-10-9-15(5)8-7-13(15)11(2)3/h12-13H,2,6-10H2,1,3-5H3/t12-,13+,15+/m1/s1
InChIKeyNRIGIDJZDUBPCH-IPYPFGDCSA-N
MW238.37 g/mol
LogP3.96
Rot. Bonds6

About 2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl (2R)-2-methylbutanoate

2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl (2R)-2-methylbutanoate (PubChem CID 163189059) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl (2R)-2-methylbutanoate.

Molecular Properties

Compound Name2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl (2R)-2-methylbutanoate
PubChem CID163189059
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl (2R)-2-methylbutanoate
SMILESC=C(C)[C@@H]1CC[C@@]1(C)CCOC(=O)[C@H](C)CC
InChIInChI=1S/C15H26O2/c1-6-12(4)14(16)17-10-9-15(5)8-7-13(15)11(2)3/h12-13H,2,6-10H2,1,3-5H3/t12-,13+,15+/m1/s1
InChIKeyNRIGIDJZDUBPCH-IPYPFGDCSA-N
XLogP3.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.96
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

Rhodinyl acetate
CID 8833
Rhodinyl propionate
CID 25113548
Rhodinyl butyrate, (+-)-
CID 61093
Rhodinyl isovalerate
CID 25113547
Rhodinyl butyrate
CID 71587790
Rhodinyl isobutyrate
CID 71587859
[2,2-Dimethyl-3-(prop-1-en-2-yl)cyclobutyl]methyl acetate
CID 10856407
3,7-Dimethyloct-7-enyl propanoate
CID 7781
Propanoic acid, 2-methyl-, 3,7-dimethyl-7-octenyl ester
CID 61085
3,7-Dimethyloct-7-EN-1-YL 3-methylbutanoate
CID 16204529
[(3R)-3,7-dimethyloct-7-enyl] acetate
CID 36690979
2-(6,6-Dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethyl propanoate
CID 15703324

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl (2R)-2-methylbutanoate?
The IUPAC name of 2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl (2R)-2-methylbutanoate (CID 163189059) is 2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl (2R)-2-methylbutanoate.
What is the SMILES notation for 2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl (2R)-2-methylbutanoate?
The canonical SMILES for 2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl (2R)-2-methylbutanoate is C=C(C)[C@@H]1CC[C@@]1(C)CCOC(=O)[C@H](C)CC.
What is the InChIKey of 2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl (2R)-2-methylbutanoate?
The InChIKey is NRIGIDJZDUBPCH-IPYPFGDCSA-N. The full InChI is InChI=1S/C15H26O2/c1-6-12(4)14(16)17-10-9-15(5)8-7-13(15)11(2)3/h12-13H,2,6-10H2,1,3-5H3/t12-,13+,15+/m1/s1.
What are the key properties of 2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl (2R)-2-methylbutanoate?
2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl (2R)-2-methylbutanoate has a molecular weight of 238.37 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl (2R)-2-methylbutanoate is sourced from PubChem (CID 163189059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).