4-cyclohept-4-en-1-yl-3,3-dimethylcycloheptene

C16H26 — CID 54052123

IUPAC4-cyclohept-4-en-1-yl-3,3-dimethylcycloheptene
SMILESCC1(C)C=CCCCC1C1CCC=CCC1
InChIInChI=1S/C16H26/c1-16(2)13-9-5-8-12-15(16)14-10-6-3-4-7-11-14/h3-4,9,13-15H,5-8,10-12H2,1-2H3
InChIKeyJCOWMKPJABGCQO-UHFFFAOYSA-N
MW218.38 g/mol
LogP5.12
Rot. Bonds1

About 4-cyclohept-4-en-1-yl-3,3-dimethylcycloheptene

4-cyclohept-4-en-1-yl-3,3-dimethylcycloheptene (PubChem CID 54052123) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 4-cyclohept-4-en-1-yl-3,3-dimethylcycloheptene.

Molecular Properties

Compound Name4-cyclohept-4-en-1-yl-3,3-dimethylcycloheptene
PubChem CID54052123
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name4-cyclohept-4-en-1-yl-3,3-dimethylcycloheptene
SMILESCC1(C)C=CCCCC1C1CCC=CCC1
InChIInChI=1S/C16H26/c1-16(2)13-9-5-8-12-15(16)14-10-6-3-4-7-11-14/h3-4,9,13-15H,5-8,10-12H2,1-2H3
InChIKeyJCOWMKPJABGCQO-UHFFFAOYSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.12
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

(1R,7S,8R)-8-chloro-8-methylbicyclo[5.1.0]oct-2-ene
CID 131843170
(1Z)-6-methylcyclononene
CID 22177377
(1S,8S)-bicyclo[6.1.0]non-4-ene
CID 95564639
3-methyl-3-methylcyclohexene
CID 163592791
(1Z)-6,6,9,9-tetramethylcyclododecene
CID 5462910
(1S,4E,8S)-9,9-dibromobicyclo[6.1.0]non-4-ene
CID 98156795
(3aS,7aS)-7a-methyl-1,2,3,3a,4,5-hexahydroindene
CID 13074897
5-butan-2-yl-2-[(4Z)-cyclooct-4-en-1-yl]-5-methyl-1,3-dioxane
CID 22924804
(1R,4aR,8aR)-5,5,8a-trimethyl-1,2,3,4,4a,8-hexahydronaphthalen-1-ol
CID 165343121
9-propan-2-ylcyclododeca-1,5-diene
CID 54254739
(4S)-3,3,4-trimethylcyclopentene
CID 148718226
(4Z)-cyclooct-4-en-1-ol
CID 5381510

Frequently Asked Questions

What is the IUPAC name of 4-cyclohept-4-en-1-yl-3,3-dimethylcycloheptene?
The IUPAC name of 4-cyclohept-4-en-1-yl-3,3-dimethylcycloheptene (CID 54052123) is 4-cyclohept-4-en-1-yl-3,3-dimethylcycloheptene.
What is the SMILES notation for 4-cyclohept-4-en-1-yl-3,3-dimethylcycloheptene?
The canonical SMILES for 4-cyclohept-4-en-1-yl-3,3-dimethylcycloheptene is CC1(C)C=CCCCC1C1CCC=CCC1.
What is the InChIKey of 4-cyclohept-4-en-1-yl-3,3-dimethylcycloheptene?
The InChIKey is JCOWMKPJABGCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-16(2)13-9-5-8-12-15(16)14-10-6-3-4-7-11-14/h3-4,9,13-15H,5-8,10-12H2,1-2H3.
What are the key properties of 4-cyclohept-4-en-1-yl-3,3-dimethylcycloheptene?
4-cyclohept-4-en-1-yl-3,3-dimethylcycloheptene has a molecular weight of 218.38 g/mol, XLogP of 5.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohept-4-en-1-yl-3,3-dimethylcycloheptene is sourced from PubChem (CID 54052123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).