4-hydroxy-2-(2-methylprop-1-enyl)-3-propan-2-yloxycyclobut-2-en-1-one

C11H16O3 — CID 10559789

IUPAC4-hydroxy-2-(2-methylprop-1-enyl)-3-propan-2-yloxycyclobut-2-en-1-one
SMILESCC(C)=CC1=C(OC(C)C)C(O)C1=O
InChIInChI=1S/C11H16O3/c1-6(2)5-8-9(12)10(13)11(8)14-7(3)4/h5,7,10,13H,1-4H3
InChIKeyJRHRDTBRHQBVFU-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.58
Rot. Bonds3

About 4-hydroxy-2-(2-methylprop-1-enyl)-3-propan-2-yloxycyclobut-2-en-1-one

4-hydroxy-2-(2-methylprop-1-enyl)-3-propan-2-yloxycyclobut-2-en-1-one (PubChem CID 10559789) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-hydroxy-2-(2-methylprop-1-enyl)-3-propan-2-yloxycyclobut-2-en-1-one.

Molecular Properties

Compound Name4-hydroxy-2-(2-methylprop-1-enyl)-3-propan-2-yloxycyclobut-2-en-1-one
PubChem CID10559789
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name4-hydroxy-2-(2-methylprop-1-enyl)-3-propan-2-yloxycyclobut-2-en-1-one
SMILESCC(C)=CC1=C(OC(C)C)C(O)C1=O
InChIInChI=1S/C11H16O3/c1-6(2)5-8-9(12)10(13)11(8)14-7(3)4/h5,7,10,13H,1-4H3
InChIKeyJRHRDTBRHQBVFU-UHFFFAOYSA-N
XLogP1.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Hydroxy-2-methyl-3-propan-2-yloxycyclobut-2-en-1-one
CID 10820813
(2E,6E)-6-ethoxy-5-hydroxynona-2,6,8-trien-4-one
CID 10397780
(2E)-2-(hydroxymethyl)-3,7-dimethyl-1-[3-methyl-2-(3-methylbut-2-enyl)-2H-oxet-4-yl]octa-2,6-dien-1-one
CID 141017064
4-Hydroxy-2,3-dimethoxy-5-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,5-dien-1-one
CID 153163930
(2E,3E,5R)-2,3-di(ethylidene)-5-hydroxyoxan-4-one
CID 167353398
(2E,3E,5R)-3-ethylidene-5-hydroxy-2-propylideneoxan-4-one
CID 169640759
5,6-Dihydroxy-3,4-dipropylcyclohexa-2,4-dien-1-one
CID 171616625
4-hydroxy-4-methyl-3-propan-2-yloxy-2-[(E)-2-prop-1-en-2-ylhex-1-enyl]cyclobut-2-en-1-one
CID 10636330
4-hydroxy-4-methyl-3-propan-2-yloxy-2-[(Z)-2-prop-1-en-2-ylhex-1-enyl]cyclobut-2-en-1-one
CID 10755079
4-Methoxy-2-(2-methylprop-1-enyl)-3-propan-2-yloxycyclobut-2-en-1-one
CID 10774808
4-Hydroxy-2-methyl-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one
CID 101072503

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(2-methylprop-1-enyl)-3-propan-2-yloxycyclobut-2-en-1-one?
The IUPAC name of 4-hydroxy-2-(2-methylprop-1-enyl)-3-propan-2-yloxycyclobut-2-en-1-one (CID 10559789) is 4-hydroxy-2-(2-methylprop-1-enyl)-3-propan-2-yloxycyclobut-2-en-1-one.
What is the SMILES notation for 4-hydroxy-2-(2-methylprop-1-enyl)-3-propan-2-yloxycyclobut-2-en-1-one?
The canonical SMILES for 4-hydroxy-2-(2-methylprop-1-enyl)-3-propan-2-yloxycyclobut-2-en-1-one is CC(C)=CC1=C(OC(C)C)C(O)C1=O.
What is the InChIKey of 4-hydroxy-2-(2-methylprop-1-enyl)-3-propan-2-yloxycyclobut-2-en-1-one?
The InChIKey is JRHRDTBRHQBVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-6(2)5-8-9(12)10(13)11(8)14-7(3)4/h5,7,10,13H,1-4H3.
What are the key properties of 4-hydroxy-2-(2-methylprop-1-enyl)-3-propan-2-yloxycyclobut-2-en-1-one?
4-hydroxy-2-(2-methylprop-1-enyl)-3-propan-2-yloxycyclobut-2-en-1-one has a molecular weight of 196.25 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(2-methylprop-1-enyl)-3-propan-2-yloxycyclobut-2-en-1-one is sourced from PubChem (CID 10559789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).