2-[(1R,2S)-1-(4-methylpent-4-enyl)-2-prop-1-en-2-ylcyclobutyl]ethyl acetate

C17H28O2 — CID 11065335

IUPAC2-[(1R,2S)-1-(4-methylpent-4-enyl)-2-prop-1-en-2-ylcyclobutyl]ethyl acetate
SMILESC=C(C)CCC[C@]1(CCOC(C)=O)CC[C@H]1C(=C)C
InChIInChI=1S/C17H28O2/c1-13(2)7-6-9-17(11-12-19-15(5)18)10-8-16(17)14(3)4/h16H,1,3,6-12H2,2,4-5H3/t16-,17+/m0/s1
InChIKeyGZBQORZEHIIHQU-DLBZAZTESA-N
MW264.41 g/mol
LogP4.66
Rot. Bonds8

About 2-[(1R,2S)-1-(4-methylpent-4-enyl)-2-prop-1-en-2-ylcyclobutyl]ethyl acetate

2-[(1R,2S)-1-(4-methylpent-4-enyl)-2-prop-1-en-2-ylcyclobutyl]ethyl acetate (PubChem CID 11065335) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-[(1R,2S)-1-(4-methylpent-4-enyl)-2-prop-1-en-2-ylcyclobutyl]ethyl acetate.

Molecular Properties

Compound Name2-[(1R,2S)-1-(4-methylpent-4-enyl)-2-prop-1-en-2-ylcyclobutyl]ethyl acetate
PubChem CID11065335
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name2-[(1R,2S)-1-(4-methylpent-4-enyl)-2-prop-1-en-2-ylcyclobutyl]ethyl acetate
SMILESC=C(C)CCC[C@]1(CCOC(C)=O)CC[C@H]1C(=C)C
InChIInChI=1S/C17H28O2/c1-13(2)7-6-9-17(11-12-19-15(5)18)10-8-16(17)14(3)4/h16H,1,3,6-12H2,2,4-5H3/t16-,17+/m0/s1
InChIKeyGZBQORZEHIIHQU-DLBZAZTESA-N
XLogP4.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-1-(4-methylpent-4-enyl)-2-prop-1-en-2-ylcyclobutyl]ethyl acetate?
The IUPAC name of 2-[(1R,2S)-1-(4-methylpent-4-enyl)-2-prop-1-en-2-ylcyclobutyl]ethyl acetate (CID 11065335) is 2-[(1R,2S)-1-(4-methylpent-4-enyl)-2-prop-1-en-2-ylcyclobutyl]ethyl acetate.
What is the SMILES notation for 2-[(1R,2S)-1-(4-methylpent-4-enyl)-2-prop-1-en-2-ylcyclobutyl]ethyl acetate?
The canonical SMILES for 2-[(1R,2S)-1-(4-methylpent-4-enyl)-2-prop-1-en-2-ylcyclobutyl]ethyl acetate is C=C(C)CCC[C@]1(CCOC(C)=O)CC[C@H]1C(=C)C.
What is the InChIKey of 2-[(1R,2S)-1-(4-methylpent-4-enyl)-2-prop-1-en-2-ylcyclobutyl]ethyl acetate?
The InChIKey is GZBQORZEHIIHQU-DLBZAZTESA-N. The full InChI is InChI=1S/C17H28O2/c1-13(2)7-6-9-17(11-12-19-15(5)18)10-8-16(17)14(3)4/h16H,1,3,6-12H2,2,4-5H3/t16-,17+/m0/s1.
What are the key properties of 2-[(1R,2S)-1-(4-methylpent-4-enyl)-2-prop-1-en-2-ylcyclobutyl]ethyl acetate?
2-[(1R,2S)-1-(4-methylpent-4-enyl)-2-prop-1-en-2-ylcyclobutyl]ethyl acetate has a molecular weight of 264.41 g/mol, XLogP of 4.66, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-1-(4-methylpent-4-enyl)-2-prop-1-en-2-ylcyclobutyl]ethyl acetate is sourced from PubChem (CID 11065335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).