1-methyl-5-(2-methylidenecyclopropyl)cyclooctane

C13H22 — CID 123572040

IUPAC1-methyl-5-(2-methylidenecyclopropyl)cyclooctane
SMILESC=C1CC1C1CCCC(C)CCC1
InChIInChI=1S/C13H22/c1-10-5-3-7-12(8-4-6-10)13-9-11(13)2/h10,12-13H,2-9H2,1H3
InChIKeyWKJJOWOQSCISCM-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.17
Rot. Bonds1

About 1-methyl-5-(2-methylidenecyclopropyl)cyclooctane

1-methyl-5-(2-methylidenecyclopropyl)cyclooctane (PubChem CID 123572040) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 1-methyl-5-(2-methylidenecyclopropyl)cyclooctane.

Molecular Properties

Compound Name1-methyl-5-(2-methylidenecyclopropyl)cyclooctane
PubChem CID123572040
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name1-methyl-5-(2-methylidenecyclopropyl)cyclooctane
SMILESC=C1CC1C1CCCC(C)CCC1
InChIInChI=1S/C13H22/c1-10-5-3-7-12(8-4-6-10)13-9-11(13)2/h10,12-13H,2-9H2,1H3
InChIKeyWKJJOWOQSCISCM-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-methyl-5-(2-methylidenecyclopropyl)cyclooctane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(+-)-N,N-Dimethyl menthyl succinamide
CID 544714
2,6-Dimethyl-1-octene
CID 522308
2,4,6-Trimethyl-1-nonene
CID 536118
2,4,6,8-Tetramethyl-1-undecene
CID 536235
2,4-Dimethyldec-1-ene
CID 521583
2,4,6,8-Tetramethylnon-1-ene
CID 58668850
1,1-Dimethyl-2-(2-methyl-2-propenyl)cyclopropane
CID 534976
4-Methylidenespiro[2.7]decane
CID 14148884
1-Undecene, 2,6,10-trimethyl
CID 528470
Octane, 3-methyl-6-methylene-
CID 550803
2,3-Dimethyloct-1-ene
CID 15084418
2,4,6,8-Tetramethylnona-1,8-diene
CID 71340663

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2-methylidenecyclopropyl)cyclooctane?
The IUPAC name of 1-methyl-5-(2-methylidenecyclopropyl)cyclooctane (CID 123572040) is 1-methyl-5-(2-methylidenecyclopropyl)cyclooctane.
What is the SMILES notation for 1-methyl-5-(2-methylidenecyclopropyl)cyclooctane?
The canonical SMILES for 1-methyl-5-(2-methylidenecyclopropyl)cyclooctane is C=C1CC1C1CCCC(C)CCC1.
What is the InChIKey of 1-methyl-5-(2-methylidenecyclopropyl)cyclooctane?
The InChIKey is WKJJOWOQSCISCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-10-5-3-7-12(8-4-6-10)13-9-11(13)2/h10,12-13H,2-9H2,1H3.
What are the key properties of 1-methyl-5-(2-methylidenecyclopropyl)cyclooctane?
1-methyl-5-(2-methylidenecyclopropyl)cyclooctane has a molecular weight of 178.32 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-methylidenecyclopropyl)cyclooctane is sourced from PubChem (CID 123572040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).