cis-(2R,3S)-2-prop-2-enyl-3-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]cyclobutan-1-one

C24H36O2 — CID 57336978

IUPACcis-(2R,3S)-2-prop-2-enyl-3-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]cyclobutan-1-one
SMILESC=CC[C@H]1C(=O)C[C@@H]1O[C@H](C)c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C24H36O2/c1-9-10-19-22(25)13-23(19)26-17(8)24-20(15(4)5)11-18(14(2)3)12-21(24)16(6)7/h9,11-12,14-17,19,23H,1,10,13H2,2-8H3/t17-,19+,23+/m1/s1
InChIKeyAOMGJJPQZPWFFE-FHJLPGHOSA-N
MW356.55 g/mol
LogP6.67
Rot. Bonds8

About cis-(2R,3S)-2-prop-2-enyl-3-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]cyclobutan-1-one

cis-(2R,3S)-2-prop-2-enyl-3-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]cyclobutan-1-one (PubChem CID 57336978) has the molecular formula C24H36O2 and a molecular weight of 356.55 g/mol. Its IUPAC name is cis-(2R,3S)-2-prop-2-enyl-3-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]cyclobutan-1-one.

Molecular Properties

Compound Namecis-(2R,3S)-2-prop-2-enyl-3-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]cyclobutan-1-one
PubChem CID57336978
Molecular FormulaC24H36O2
Molecular Weight356.55 g/mol
Exact Mass356.27
IUPAC Namecis-(2R,3S)-2-prop-2-enyl-3-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]cyclobutan-1-one
SMILESC=CC[C@H]1C(=O)C[C@@H]1O[C@H](C)c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C24H36O2/c1-9-10-19-22(25)13-23(19)26-17(8)24-20(15(4)5)11-18(14(2)3)12-21(24)16(6)7/h9,11-12,14-17,19,23H,1,10,13H2,2-8H3/t17-,19+,23+/m1/s1
InChIKeyAOMGJJPQZPWFFE-FHJLPGHOSA-N
XLogP6.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.55
LogP ≤ 56.67
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 cis-(2R,3S)-2-prop-2-enyl-3-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]cyclobutan-1-one?
The IUPAC name of cis-(2R,3S)-2-prop-2-enyl-3-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]cyclobutan-1-one (CID 57336978) is cis-(2R,3S)-2-prop-2-enyl-3-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]cyclobutan-1-one.
What is the SMILES notation for cis-(2R,3S)-2-prop-2-enyl-3-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]cyclobutan-1-one?
The canonical SMILES for cis-(2R,3S)-2-prop-2-enyl-3-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]cyclobutan-1-one is C=CC[C@H]1C(=O)C[C@@H]1O[C@H](C)c1c(C(C)C)cc(C(C)C)cc1C(C)C.
What is the InChIKey of cis-(2R,3S)-2-prop-2-enyl-3-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]cyclobutan-1-one?
The InChIKey is AOMGJJPQZPWFFE-FHJLPGHOSA-N. The full InChI is InChI=1S/C24H36O2/c1-9-10-19-22(25)13-23(19)26-17(8)24-20(15(4)5)11-18(14(2)3)12-21(24)16(6)7/h9,11-12,14-17,19,23H,1,10,13H2,2-8H3/t17-,19+,23+/m1/s1.
What are the key properties of cis-(2R,3S)-2-prop-2-enyl-3-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]cyclobutan-1-one?
cis-(2R,3S)-2-prop-2-enyl-3-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]cyclobutan-1-one has a molecular weight of 356.55 g/mol, XLogP of 6.67, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2R,3S)-2-prop-2-enyl-3-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]cyclobutan-1-one is sourced from PubChem (CID 57336978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).