1-methyl-2-(2-methyl-4-methylidenehexan-3-yl)cyclobutane

C13H24 — CID 123907481

IUPAC1-methyl-2-(2-methyl-4-methylidenehexan-3-yl)cyclobutane
SMILESC=C(CC)C(C(C)C)C1CCC1C
InChIInChI=1S/C13H24/c1-6-10(4)13(9(2)3)12-8-7-11(12)5/h9,11-13H,4,6-8H2,1-3,5H3
InChIKeyNGLDTJHRSJMMAV-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.27
Rot. Bonds4

About 1-methyl-2-(2-methyl-4-methylidenehexan-3-yl)cyclobutane

1-methyl-2-(2-methyl-4-methylidenehexan-3-yl)cyclobutane (PubChem CID 123907481) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 1-methyl-2-(2-methyl-4-methylidenehexan-3-yl)cyclobutane.

Molecular Properties

Compound Name1-methyl-2-(2-methyl-4-methylidenehexan-3-yl)cyclobutane
PubChem CID123907481
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name1-methyl-2-(2-methyl-4-methylidenehexan-3-yl)cyclobutane
SMILESC=C(CC)C(C(C)C)C1CCC1C
InChIInChI=1S/C13H24/c1-6-10(4)13(9(2)3)12-8-7-11(12)5/h9,11-13H,4,6-8H2,1-3,5H3
InChIKeyNGLDTJHRSJMMAV-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.27
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

(2S)-2-amino-1-(2-methylcyclobutyl)propan-1-ol
CID 68606405
(1R)-1-methyl-2-propan-2-ylcyclobutane
CID 158704963
1-(4-ethyl-5-methylhexan-2-yl)-2-methylcyclobutane
CID 91534762
5-ethyl-1-methyl-2-propan-2-ylcycloheptane
CID 123365042
(1R)-N-ethyl-1-[(1S,2R)-2-methylcyclobutyl]ethanamine
CID 70296617
1-[1-(2-methylcyclobutyl)propylamino]ethanol
CID 89249313
1-(3-methylidenepentan-2-yl)-2-propan-2-ylcyclopropane
CID 123456520
3-butan-2-yl-2,6-dimethylcyclohexan-1-ol
CID 58534554
1-butan-2-yl-2,3-dimethylcyclopentane;ethane;ethene
CID 144517503
1-(2-methylcyclohexyl)-2-methylidenepropane-1,3-diol
CID 69422338
2-bromo-3-methylidenepentane
CID 88691030
3-methylidenepentane-2-thiol
CID 57045878

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methyl-4-methylidenehexan-3-yl)cyclobutane?
The IUPAC name of 1-methyl-2-(2-methyl-4-methylidenehexan-3-yl)cyclobutane (CID 123907481) is 1-methyl-2-(2-methyl-4-methylidenehexan-3-yl)cyclobutane.
What is the SMILES notation for 1-methyl-2-(2-methyl-4-methylidenehexan-3-yl)cyclobutane?
The canonical SMILES for 1-methyl-2-(2-methyl-4-methylidenehexan-3-yl)cyclobutane is C=C(CC)C(C(C)C)C1CCC1C.
What is the InChIKey of 1-methyl-2-(2-methyl-4-methylidenehexan-3-yl)cyclobutane?
The InChIKey is NGLDTJHRSJMMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-6-10(4)13(9(2)3)12-8-7-11(12)5/h9,11-13H,4,6-8H2,1-3,5H3.
What are the key properties of 1-methyl-2-(2-methyl-4-methylidenehexan-3-yl)cyclobutane?
1-methyl-2-(2-methyl-4-methylidenehexan-3-yl)cyclobutane has a molecular weight of 180.33 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methyl-4-methylidenehexan-3-yl)cyclobutane is sourced from PubChem (CID 123907481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).