2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl 3-methylbutanoate

C15H26O2 — CID 163034239

IUPAC2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl 3-methylbutanoate
SMILESC=C(C)[C@@H]1CC[C@@]1(C)CCOC(=O)CC(C)C
InChIInChI=1S/C15H26O2/c1-11(2)10-14(16)17-9-8-15(5)7-6-13(15)12(3)4/h11,13H,3,6-10H2,1-2,4-5H3/t13-,15-/m0/s1
InChIKeyYERQGDXMKGZPCZ-ZFWWWQNUSA-N
MW238.37 g/mol
LogP3.96
Rot. Bonds6

About 2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl 3-methylbutanoate

2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl 3-methylbutanoate (PubChem CID 163034239) 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 3-methylbutanoate.

Molecular Properties

Compound Name2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl 3-methylbutanoate
PubChem CID163034239
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl 3-methylbutanoate
SMILESC=C(C)[C@@H]1CC[C@@]1(C)CCOC(=O)CC(C)C
InChIInChI=1S/C15H26O2/c1-11(2)10-14(16)17-9-8-15(5)7-6-13(15)12(3)4/h11,13H,3,6-10H2,1-2,4-5H3/t13-,15-/m0/s1
InChIKeyYERQGDXMKGZPCZ-ZFWWWQNUSA-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'}

Analyze 2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl 3-methylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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 3-methylbutanoate?
The IUPAC name of 2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl 3-methylbutanoate (CID 163034239) is 2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl 3-methylbutanoate.
What is the SMILES notation for 2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl 3-methylbutanoate?
The canonical SMILES for 2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl 3-methylbutanoate is C=C(C)[C@@H]1CC[C@@]1(C)CCOC(=O)CC(C)C.
What is the InChIKey of 2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl 3-methylbutanoate?
The InChIKey is YERQGDXMKGZPCZ-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H26O2/c1-11(2)10-14(16)17-9-8-15(5)7-6-13(15)12(3)4/h11,13H,3,6-10H2,1-2,4-5H3/t13-,15-/m0/s1.
What are the key properties of 2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl 3-methylbutanoate?
2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl 3-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 3-methylbutanoate is sourced from PubChem (CID 163034239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).