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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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).