(4R)-4-buta-2,3-dienoxy-2-tert-butyl-4-methylcyclohexa-2,5-dien-1-one

C15H20O2 — CID 162404843

IUPAC(4R)-4-buta-2,3-dienoxy-2-tert-butyl-4-methylcyclohexa-2,5-dien-1-one
SMILESC=C=CCO[C@]1(C)C=CC(=O)C(C(C)(C)C)=C1
InChIInChI=1S/C15H20O2/c1-6-7-10-17-15(5)9-8-13(16)12(11-15)14(2,3)4/h7-9,11H,1,10H2,2-5H3/t15-/m1/s1
InChIKeyVWORBLHSJSDJTR-OAHLLOKOSA-N
MW232.32 g/mol
LogP3.21
Rot. Bonds3

About (4R)-4-buta-2,3-dienoxy-2-tert-butyl-4-methylcyclohexa-2,5-dien-1-one

(4R)-4-buta-2,3-dienoxy-2-tert-butyl-4-methylcyclohexa-2,5-dien-1-one (PubChem CID 162404843) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (4R)-4-buta-2,3-dienoxy-2-tert-butyl-4-methylcyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name(4R)-4-buta-2,3-dienoxy-2-tert-butyl-4-methylcyclohexa-2,5-dien-1-one
PubChem CID162404843
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(4R)-4-buta-2,3-dienoxy-2-tert-butyl-4-methylcyclohexa-2,5-dien-1-one
SMILESC=C=CCO[C@]1(C)C=CC(=O)C(C(C)(C)C)=C1
InChIInChI=1S/C15H20O2/c1-6-7-10-17-15(5)9-8-13(16)12(11-15)14(2,3)4/h7-9,11H,1,10H2,2-5H3/t15-/m1/s1
InChIKeyVWORBLHSJSDJTR-OAHLLOKOSA-N
XLogP3.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-buta-2,3-dienoxy-2-tert-butyl-4-methylcyclohexa-2,5-dien-1-one?
The IUPAC name of (4R)-4-buta-2,3-dienoxy-2-tert-butyl-4-methylcyclohexa-2,5-dien-1-one (CID 162404843) is (4R)-4-buta-2,3-dienoxy-2-tert-butyl-4-methylcyclohexa-2,5-dien-1-one.
What is the SMILES notation for (4R)-4-buta-2,3-dienoxy-2-tert-butyl-4-methylcyclohexa-2,5-dien-1-one?
The canonical SMILES for (4R)-4-buta-2,3-dienoxy-2-tert-butyl-4-methylcyclohexa-2,5-dien-1-one is C=C=CCO[C@]1(C)C=CC(=O)C(C(C)(C)C)=C1.
What is the InChIKey of (4R)-4-buta-2,3-dienoxy-2-tert-butyl-4-methylcyclohexa-2,5-dien-1-one?
The InChIKey is VWORBLHSJSDJTR-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H20O2/c1-6-7-10-17-15(5)9-8-13(16)12(11-15)14(2,3)4/h7-9,11H,1,10H2,2-5H3/t15-/m1/s1.
What are the key properties of (4R)-4-buta-2,3-dienoxy-2-tert-butyl-4-methylcyclohexa-2,5-dien-1-one?
(4R)-4-buta-2,3-dienoxy-2-tert-butyl-4-methylcyclohexa-2,5-dien-1-one has a molecular weight of 232.32 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-buta-2,3-dienoxy-2-tert-butyl-4-methylcyclohexa-2,5-dien-1-one is sourced from PubChem (CID 162404843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).