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

C14H24O2 — CID 162982040

IUPAC2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl 2-methylpropanoate
SMILESC=C(C)[C@@H]1CC[C@@]1(C)CCOC(=O)C(C)C
InChIInChI=1S/C14H24O2/c1-10(2)12-6-7-14(12,5)8-9-16-13(15)11(3)4/h11-12H,1,6-9H2,2-5H3/t12-,14-/m0/s1
InChIKeyFVDDHXILHJBLOF-JSGCOSHPSA-N
MW224.34 g/mol
LogP3.57
Rot. Bonds5

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

2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl 2-methylpropanoate (PubChem CID 162982040) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl 2-methylpropanoate.

Molecular Properties

Compound Name2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl 2-methylpropanoate
PubChem CID162982040
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl 2-methylpropanoate
SMILESC=C(C)[C@@H]1CC[C@@]1(C)CCOC(=O)C(C)C
InChIInChI=1S/C14H24O2/c1-10(2)12-6-7-14(12,5)8-9-16-13(15)11(3)4/h11-12H,1,6-9H2,2-5H3/t12-,14-/m0/s1
InChIKeyFVDDHXILHJBLOF-JSGCOSHPSA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.57
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
Nopyl acetate
CID 929336
Rhodinyl propionate
CID 25113548
Rhodinyl butyrate, (+-)-
CID 61093
Rhodinyl isovalerate
CID 25113547
Rhodinyl butyrate
CID 71587790
Rhodinyl isobutyrate
CID 71587859
Bicyclo(3.1.1)hept-2-ene-2-ethanol, 6,6-dimethyl-, acetate
CID 101604
[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

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl 2-methylpropanoate?
The IUPAC name of 2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl 2-methylpropanoate (CID 162982040) is 2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl 2-methylpropanoate.
What is the SMILES notation for 2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl 2-methylpropanoate?
The canonical SMILES for 2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl 2-methylpropanoate is C=C(C)[C@@H]1CC[C@@]1(C)CCOC(=O)C(C)C.
What is the InChIKey of 2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl 2-methylpropanoate?
The InChIKey is FVDDHXILHJBLOF-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H24O2/c1-10(2)12-6-7-14(12,5)8-9-16-13(15)11(3)4/h11-12H,1,6-9H2,2-5H3/t12-,14-/m0/s1.
What are the key properties of 2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl 2-methylpropanoate?
2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl 2-methylpropanoate has a molecular weight of 224.34 g/mol, XLogP of 3.57, 5 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 2-methylpropanoate is sourced from PubChem (CID 162982040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).