(4R)-4-buta-2,3-dienoxy-3,4-dimethylcyclohexa-2,5-dien-1-one

C12H14O2 — CID 162406059

IUPAC(4R)-4-buta-2,3-dienoxy-3,4-dimethylcyclohexa-2,5-dien-1-one
SMILESC=C=CCO[C@]1(C)C=CC(=O)C=C1C
InChIInChI=1S/C12H14O2/c1-4-5-8-14-12(3)7-6-11(13)9-10(12)2/h5-7,9H,1,8H2,2-3H3/t12-/m1/s1
InChIKeyPDEUHUZHDWDECM-GFCCVEGCSA-N
MW190.24 g/mol
LogP2.19
Rot. Bonds3

About (4R)-4-buta-2,3-dienoxy-3,4-dimethylcyclohexa-2,5-dien-1-one

(4R)-4-buta-2,3-dienoxy-3,4-dimethylcyclohexa-2,5-dien-1-one (PubChem CID 162406059) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (4R)-4-buta-2,3-dienoxy-3,4-dimethylcyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name(4R)-4-buta-2,3-dienoxy-3,4-dimethylcyclohexa-2,5-dien-1-one
PubChem CID162406059
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(4R)-4-buta-2,3-dienoxy-3,4-dimethylcyclohexa-2,5-dien-1-one
SMILESC=C=CCO[C@]1(C)C=CC(=O)C=C1C
InChIInChI=1S/C12H14O2/c1-4-5-8-14-12(3)7-6-11(13)9-10(12)2/h5-7,9H,1,8H2,2-3H3/t12-/m1/s1
InChIKeyPDEUHUZHDWDECM-GFCCVEGCSA-N
XLogP2.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.19
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-3,4-dimethylcyclohexa-2,5-dien-1-one?
The IUPAC name of (4R)-4-buta-2,3-dienoxy-3,4-dimethylcyclohexa-2,5-dien-1-one (CID 162406059) is (4R)-4-buta-2,3-dienoxy-3,4-dimethylcyclohexa-2,5-dien-1-one.
What is the SMILES notation for (4R)-4-buta-2,3-dienoxy-3,4-dimethylcyclohexa-2,5-dien-1-one?
The canonical SMILES for (4R)-4-buta-2,3-dienoxy-3,4-dimethylcyclohexa-2,5-dien-1-one is C=C=CCO[C@]1(C)C=CC(=O)C=C1C.
What is the InChIKey of (4R)-4-buta-2,3-dienoxy-3,4-dimethylcyclohexa-2,5-dien-1-one?
The InChIKey is PDEUHUZHDWDECM-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H14O2/c1-4-5-8-14-12(3)7-6-11(13)9-10(12)2/h5-7,9H,1,8H2,2-3H3/t12-/m1/s1.
What are the key properties of (4R)-4-buta-2,3-dienoxy-3,4-dimethylcyclohexa-2,5-dien-1-one?
(4R)-4-buta-2,3-dienoxy-3,4-dimethylcyclohexa-2,5-dien-1-one has a molecular weight of 190.24 g/mol, XLogP of 2.19, 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-3,4-dimethylcyclohexa-2,5-dien-1-one is sourced from PubChem (CID 162406059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).