(1Z)-1,2,3,3,6-pentamethylcyclooctene

C13H24 — CID 142284308

IUPAC(1Z)-1,2,3,3,6-pentamethylcyclooctene
SMILESC/C1=C(\C)C(C)(C)CCC(C)CC1
InChIInChI=1S/C13H24/c1-10-6-7-11(2)12(3)13(4,5)9-8-10/h10H,6-9H2,1-5H3/b12-11-
InChIKeyNNKUOLXNTZNPPU-QXMHVHEDSA-N
MW180.33 g/mol
LogP4.56
Rot. Bonds

About (1Z)-1,2,3,3,6-pentamethylcyclooctene

(1Z)-1,2,3,3,6-pentamethylcyclooctene (PubChem CID 142284308) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is (1Z)-1,2,3,3,6-pentamethylcyclooctene.

Molecular Properties

Compound Name(1Z)-1,2,3,3,6-pentamethylcyclooctene
PubChem CID142284308
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name(1Z)-1,2,3,3,6-pentamethylcyclooctene
SMILESC/C1=C(\C)C(C)(C)CCC(C)CC1
InChIInChI=1S/C13H24/c1-10-6-7-11(2)12(3)13(4,5)9-8-10/h10H,6-9H2,1-5H3/b12-11-
InChIKeyNNKUOLXNTZNPPU-QXMHVHEDSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1Z)-1,2,3,3,6-pentamethylcyclooctene 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

methane;4-methylcyclohexan-1-one;1,1,4-trimethylcyclohexane
CID 160725349
(1Z)-1,2,3,3,5,8,10,10-octamethylcyclodecene
CID 143700143
3,9-dimethylspiro[5.5]undecane
CID 20825106
6-methoxy-1,2,3,3-tetramethylcyclohexene
CID 11041115
3,7-dimethyl-2-azaspiro[3.5]nonane
CID 154690236
2,2,6-trimethylspiro[2.5]octane
CID 149026229
bis(2-fluoro-1,4-dimethylcyclohexene);methane
CID 160664203
1,2,3-trimethylcyclopent-2-en-1-amine
CID 145499311
3,9-dimethylspiro[5.5]undecane;methanamine
CID 176558454
3,11-dimethyldispiro[5.1.58.16]tetradecane
CID 18633626
ethane;6-methylspiro[2.5]octane
CID 142110397
4-methylcyclohexan-1-(18O)one
CID 101386186

Frequently Asked Questions

What is the IUPAC name of (1Z)-1,2,3,3,6-pentamethylcyclooctene?
The IUPAC name of (1Z)-1,2,3,3,6-pentamethylcyclooctene (CID 142284308) is (1Z)-1,2,3,3,6-pentamethylcyclooctene.
What is the SMILES notation for (1Z)-1,2,3,3,6-pentamethylcyclooctene?
The canonical SMILES for (1Z)-1,2,3,3,6-pentamethylcyclooctene is C/C1=C(\C)C(C)(C)CCC(C)CC1.
What is the InChIKey of (1Z)-1,2,3,3,6-pentamethylcyclooctene?
The InChIKey is NNKUOLXNTZNPPU-QXMHVHEDSA-N. The full InChI is InChI=1S/C13H24/c1-10-6-7-11(2)12(3)13(4,5)9-8-10/h10H,6-9H2,1-5H3/b12-11-.
What are the key properties of (1Z)-1,2,3,3,6-pentamethylcyclooctene?
(1Z)-1,2,3,3,6-pentamethylcyclooctene has a molecular weight of 180.33 g/mol, XLogP of 4.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1,2,3,3,6-pentamethylcyclooctene is sourced from PubChem (CID 142284308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).