4-methyl-1-(2-methylpropyl)cyclobutene

C9H16 — CID 123924362

IUPAC4-methyl-1-(2-methylpropyl)cyclobutene
SMILESCC(C)CC1=CCC1C
InChIInChI=1S/C9H16/c1-7(2)6-9-5-4-8(9)3/h5,7-8H,4,6H2,1-3H3
InChIKeyXSVGZOYNTHZPDM-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.00
Rot. Bonds2

About 4-methyl-1-(2-methylpropyl)cyclobutene

4-methyl-1-(2-methylpropyl)cyclobutene (PubChem CID 123924362) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 4-methyl-1-(2-methylpropyl)cyclobutene.

Molecular Properties

Compound Name4-methyl-1-(2-methylpropyl)cyclobutene
PubChem CID123924362
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name4-methyl-1-(2-methylpropyl)cyclobutene
SMILESCC(C)CC1=CCC1C
InChIInChI=1S/C9H16/c1-7(2)6-9-5-4-8(9)3/h5,7-8H,4,6H2,1-3H3
InChIKeyXSVGZOYNTHZPDM-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.00
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

(1S,4S)-2,5-bis(2-methylpropyl)bicyclo[2.2.1]hepta-2,5-diene
CID 24773290
(4R)-1-but-3-enyl-4-methylcyclobutene
CID 140872621
6-chloro-1-(2-methylpropyl)cyclohexa-1,3-diene
CID 166712660
5-ethyl-4-methylcyclohexa-1,5-dien-1-amine
CID 163507973
1-(6-methylcyclohexa-1,3-dien-1-yl)propan-2-amine
CID 143285714
2-(2-methylpropyl)bicyclo[2.2.1]hept-2-ene
CID 54084264
3-[(4S,6R)-6-methyl-4-(2-methylpropyl)cyclohexen-1-yl]propanal
CID 162503065
(4S)-4-methylcyclobuten-1-amine
CID 164996658
3-chloro-6-methyl-N-(2-methylpropyl)cyclohexa-1,3-dien-1-amine
CID 155402647
3-[(4R,6R)-6-methyl-4-propan-2-ylcyclohexen-1-yl]propanal
CID 146421371
3-chloro-N,6-dimethyl-N-(2-methylpropyl)cyclohexa-1,3-dien-1-amine
CID 155402847
3-methyl-6-(2-methylpropyl)-2,3-dihydro-1H-inden-1-ol
CID 63823202

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylpropyl)cyclobutene?
The IUPAC name of 4-methyl-1-(2-methylpropyl)cyclobutene (CID 123924362) is 4-methyl-1-(2-methylpropyl)cyclobutene.
What is the SMILES notation for 4-methyl-1-(2-methylpropyl)cyclobutene?
The canonical SMILES for 4-methyl-1-(2-methylpropyl)cyclobutene is CC(C)CC1=CCC1C.
What is the InChIKey of 4-methyl-1-(2-methylpropyl)cyclobutene?
The InChIKey is XSVGZOYNTHZPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-7(2)6-9-5-4-8(9)3/h5,7-8H,4,6H2,1-3H3.
What are the key properties of 4-methyl-1-(2-methylpropyl)cyclobutene?
4-methyl-1-(2-methylpropyl)cyclobutene has a molecular weight of 124.23 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylpropyl)cyclobutene is sourced from PubChem (CID 123924362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).