2-butyl-4-methoxy-4-methylcyclobut-2-en-1-one

C10H16O2 — CID 11789608

IUPAC2-butyl-4-methoxy-4-methylcyclobut-2-en-1-one
SMILESCCCCC1=CC(C)(OC)C1=O
InChIInChI=1S/C10H16O2/c1-4-5-6-8-7-10(2,12-3)9(8)11/h7H,4-6H2,1-3H3
InChIKeyQABDFWUUFUQDPT-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.09
Rot. Bonds4

About 2-butyl-4-methoxy-4-methylcyclobut-2-en-1-one

2-butyl-4-methoxy-4-methylcyclobut-2-en-1-one (PubChem CID 11789608) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-butyl-4-methoxy-4-methylcyclobut-2-en-1-one.

Molecular Properties

Compound Name2-butyl-4-methoxy-4-methylcyclobut-2-en-1-one
PubChem CID11789608
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-butyl-4-methoxy-4-methylcyclobut-2-en-1-one
SMILESCCCCC1=CC(C)(OC)C1=O
InChIInChI=1S/C10H16O2/c1-4-5-6-8-7-10(2,12-3)9(8)11/h7H,4-6H2,1-3H3
InChIKeyQABDFWUUFUQDPT-UHFFFAOYSA-N
XLogP2.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 91464345
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CID 14593193
3-Butyl-4-methoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one
CID 10082847
4-Methoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one
CID 11819638
1-(1-Methoxy-2-methylcyclohexa-2,5-dien-1-yl)heptan-1-one
CID 149647284
1-(1-Methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)hexan-1-one
CID 150570549
1-(1-Methoxycyclohexa-2,5-dien-1-yl)hexan-1-one
CID 150586444
1-(1-Methoxy-2,3,6-trimethylcyclohexa-2,5-dien-1-yl)nonan-1-one
CID 151459197
1-(1-Methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)heptan-1-one
CID 152362832
1-(1-Methoxy-2-methylcyclopenta-2,4-dien-1-yl)hexan-1-one
CID 153929729
1-(1-Methoxy-2-methylcyclohexa-2,5-dien-1-yl)hexan-1-one
CID 154344865
1-(1-Methoxy-2,6-dimethylcyclohexa-2,5-dien-1-yl)pentan-1-one
CID 154361076

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-methoxy-4-methylcyclobut-2-en-1-one?
The IUPAC name of 2-butyl-4-methoxy-4-methylcyclobut-2-en-1-one (CID 11789608) is 2-butyl-4-methoxy-4-methylcyclobut-2-en-1-one.
What is the SMILES notation for 2-butyl-4-methoxy-4-methylcyclobut-2-en-1-one?
The canonical SMILES for 2-butyl-4-methoxy-4-methylcyclobut-2-en-1-one is CCCCC1=CC(C)(OC)C1=O.
What is the InChIKey of 2-butyl-4-methoxy-4-methylcyclobut-2-en-1-one?
The InChIKey is QABDFWUUFUQDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-5-6-8-7-10(2,12-3)9(8)11/h7H,4-6H2,1-3H3.
What are the key properties of 2-butyl-4-methoxy-4-methylcyclobut-2-en-1-one?
2-butyl-4-methoxy-4-methylcyclobut-2-en-1-one has a molecular weight of 168.24 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-methoxy-4-methylcyclobut-2-en-1-one is sourced from PubChem (CID 11789608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).