1,3,3-trimethyl-4-(2-methylprop-1-enyl)cyclobutene

C11H18 — CID 121218572

IUPAC1,3,3-trimethyl-4-(2-methylprop-1-enyl)cyclobutene
SMILESCC(C)=CC1C(C)=CC1(C)C
InChIInChI=1S/C11H18/c1-8(2)6-10-9(3)7-11(10,4)5/h6-7,10H,1-5H3
InChIKeyXNZMJCLGYFCDOV-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.55
Rot. Bonds1

About 1,3,3-trimethyl-4-(2-methylprop-1-enyl)cyclobutene

1,3,3-trimethyl-4-(2-methylprop-1-enyl)cyclobutene (PubChem CID 121218572) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 1,3,3-trimethyl-4-(2-methylprop-1-enyl)cyclobutene.

Molecular Properties

Compound Name1,3,3-trimethyl-4-(2-methylprop-1-enyl)cyclobutene
PubChem CID121218572
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name1,3,3-trimethyl-4-(2-methylprop-1-enyl)cyclobutene
SMILESCC(C)=CC1C(C)=CC1(C)C
InChIInChI=1S/C11H18/c1-8(2)6-10-9(3)7-11(10,4)5/h6-7,10H,1-5H3
InChIKeyXNZMJCLGYFCDOV-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[(5R)-2,4,4-trimethyl-5-(2-methylprop-1-enyl)cyclopenten-1-yl]ethanone
CID 102030832
(5S)-5-hydroxy-2,4,4-trimethylcyclopent-2-en-1-one
CID 131162625
5-hydroxy-2,4,4-trimethylcyclopent-2-en-1-one
CID 130037543
1,1-dimethyl-2-(2-methylprop-1-enyl)cyclopropane
CID 520632
(Z)-2-methyl-3-(2,6,6-trimethylcyclohex-2-en-1-yl)prop-2-enal
CID 20838852
3-methyl-4-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-one
CID 57323826
4-[1-(4-hydroxy-3-methylphenyl)prop-1-en-2-yl]-2,6,6-trimethylcyclohexa-2,4-dien-1-ol
CID 67882384
1-[3,3,5-trimethyl-2-(2-methylprop-1-enyl)-2H-furan-4-yl]ethanone
CID 14912356
trans-(3S,4R)-4-chloro-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclobutan-1-one
CID 18609647
2,6,6-trimethylcyclohexa-2,4-diene-1-carbaldehyde
CID 10103330
(1R,3S,6R)-4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-ol
CID 124556662
(1S)-4-bromo-2,2-dimethylcyclopent-3-en-1-ol
CID 10330180

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-4-(2-methylprop-1-enyl)cyclobutene?
The IUPAC name of 1,3,3-trimethyl-4-(2-methylprop-1-enyl)cyclobutene (CID 121218572) is 1,3,3-trimethyl-4-(2-methylprop-1-enyl)cyclobutene.
What is the SMILES notation for 1,3,3-trimethyl-4-(2-methylprop-1-enyl)cyclobutene?
The canonical SMILES for 1,3,3-trimethyl-4-(2-methylprop-1-enyl)cyclobutene is CC(C)=CC1C(C)=CC1(C)C.
What is the InChIKey of 1,3,3-trimethyl-4-(2-methylprop-1-enyl)cyclobutene?
The InChIKey is XNZMJCLGYFCDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-8(2)6-10-9(3)7-11(10,4)5/h6-7,10H,1-5H3.
What are the key properties of 1,3,3-trimethyl-4-(2-methylprop-1-enyl)cyclobutene?
1,3,3-trimethyl-4-(2-methylprop-1-enyl)cyclobutene has a molecular weight of 150.26 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-4-(2-methylprop-1-enyl)cyclobutene is sourced from PubChem (CID 121218572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).