1,5-dimethyl-2,6-dimethylidenecyclooctane

C12H20 — CID 577922

IUPAC1,5-dimethyl-2,6-dimethylidenecyclooctane
SMILESC=C1CCC(C)C(=C)CCC1C
InChIInChI=1S/C12H20/c1-9-5-6-11(3)12(4)8-7-10(9)2/h10-11H,1,4-8H2,2-3H3
InChIKeyPCGOCZYUPGDAQL-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.94
Rot. Bonds

About 1,5-dimethyl-2,6-dimethylidenecyclooctane

1,5-dimethyl-2,6-dimethylidenecyclooctane (PubChem CID 577922) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 1,5-dimethyl-2,6-dimethylidenecyclooctane.

Molecular Properties

Compound Name1,5-dimethyl-2,6-dimethylidenecyclooctane
PubChem CID577922
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name1,5-dimethyl-2,6-dimethylidenecyclooctane
SMILESC=C1CCC(C)C(=C)CCC1C
InChIInChI=1S/C12H20/c1-9-5-6-11(3)12(4)8-7-10(9)2/h10-11H,1,4-8H2,2-3H3
InChIKeyPCGOCZYUPGDAQL-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.94
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

2,4-Dimethyl-1-heptene
CID 123385
1-Heptene, 2,6-dimethyl-
CID 76492
Vinylcyclooctane
CID 93331
(+-)-N,N-Dimethyl menthyl succinamide
CID 544714
1-Methyl-4-(1-methylethenyl)cyclohexane
CID 14299
3-Ethyl-2-methyl-1-heptene
CID 140588
p-Menth-1(7)-ene
CID 517973
1,8-Nonadiene, 2,7-dimethyl-5-(1-methylethenyl)-
CID 572166
1-Methyl-3-(2-methylprop-2-en-1-yl)cyclopentane
CID 543757
2,6-Dimethyl-1-octene
CID 522308
2,4,6-Trimethyl-1-nonene
CID 536118
2,4,6,8-Tetramethyl-1-undecene
CID 536235

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2,6-dimethylidenecyclooctane?
The IUPAC name of 1,5-dimethyl-2,6-dimethylidenecyclooctane (CID 577922) is 1,5-dimethyl-2,6-dimethylidenecyclooctane.
What is the SMILES notation for 1,5-dimethyl-2,6-dimethylidenecyclooctane?
The canonical SMILES for 1,5-dimethyl-2,6-dimethylidenecyclooctane is C=C1CCC(C)C(=C)CCC1C.
What is the InChIKey of 1,5-dimethyl-2,6-dimethylidenecyclooctane?
The InChIKey is PCGOCZYUPGDAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-9-5-6-11(3)12(4)8-7-10(9)2/h10-11H,1,4-8H2,2-3H3.
What are the key properties of 1,5-dimethyl-2,6-dimethylidenecyclooctane?
1,5-dimethyl-2,6-dimethylidenecyclooctane has a molecular weight of 164.29 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2,6-dimethylidenecyclooctane is sourced from PubChem (CID 577922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).