4-methoxy-2-methyl-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one

C12H18O3 — CID 11447148

IUPAC4-methoxy-2-methyl-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one
SMILESC=C(C)C1(OC)C(=O)C(C)=C1OC(C)C
InChIInChI=1S/C12H18O3/c1-7(2)12(14-6)10(13)9(5)11(12)15-8(3)4/h8H,1H2,2-6H3
InChIKeyBRQGNHMUVMLVJO-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.23
Rot. Bonds4

About 4-methoxy-2-methyl-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one

4-methoxy-2-methyl-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one (PubChem CID 11447148) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 4-methoxy-2-methyl-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one.

Molecular Properties

Compound Name4-methoxy-2-methyl-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one
PubChem CID11447148
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name4-methoxy-2-methyl-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one
SMILESC=C(C)C1(OC)C(=O)C(C)=C1OC(C)C
InChIInChI=1S/C12H18O3/c1-7(2)12(14-6)10(13)9(5)11(12)15-8(3)4/h8H,1H2,2-6H3
InChIKeyBRQGNHMUVMLVJO-UHFFFAOYSA-N
XLogP2.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3,4-Trimethoxy-4-(2-methylprop-2-enyl)cyclobut-2-en-1-one
CID 15701473
2-Hex-1-ynyl-3,4-dimethoxy-4-prop-2-enylcyclobut-2-en-1-one
CID 14593196
3,4-Diethoxy-4-hex-1-ynyl-2-methylcyclobut-2-en-1-one
CID 10562640
3,4-Diethoxy-2,4-bis(prop-2-enyl)cyclobut-2-en-1-one
CID 10911551
2-Ethenyl-3,4-dimethoxy-4-prop-2-enylcyclobut-2-en-1-one
CID 14593194
(E)-5-methoxy-5-(methoxymethyl)-6-methylideneoct-2-en-4-one
CID 141103502
(E)-5-methoxy-5-(2-methoxyethoxymethyl)-6-methylideneoct-2-en-4-one
CID 141103506
4-Methoxy-2-propan-2-yl-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one
CID 10060124
3,4-Dimethoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one
CID 10560390
4-methoxy-4-methyl-3-propan-2-yloxy-2-[(E)-2-prop-1-en-2-ylhex-1-enyl]cyclobut-2-en-1-one
CID 10613614
3,4-dimethoxy-2-propan-2-yl-4-[(E)-prop-1-enyl]cyclobut-2-en-1-one
CID 10750941
4-Methoxy-2-(2-methylprop-1-enyl)-3-propan-2-yloxycyclobut-2-en-1-one
CID 10774808

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one?
The IUPAC name of 4-methoxy-2-methyl-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one (CID 11447148) is 4-methoxy-2-methyl-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one.
What is the SMILES notation for 4-methoxy-2-methyl-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one?
The canonical SMILES for 4-methoxy-2-methyl-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one is C=C(C)C1(OC)C(=O)C(C)=C1OC(C)C.
What is the InChIKey of 4-methoxy-2-methyl-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one?
The InChIKey is BRQGNHMUVMLVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-7(2)12(14-6)10(13)9(5)11(12)15-8(3)4/h8H,1H2,2-6H3.
What are the key properties of 4-methoxy-2-methyl-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one?
4-methoxy-2-methyl-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one has a molecular weight of 210.27 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one is sourced from PubChem (CID 11447148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).