1,2,4,4-tetramethylcycloheptene

C11H20 — CID 14029510

IUPAC1,2,4,4-tetramethylcycloheptene
SMILESCC1=C(C)CC(C)(C)CCC1
InChIInChI=1S/C11H20/c1-9-6-5-7-11(3,4)8-10(9)2/h5-8H2,1-4H3
InChIKeyVYDCEQSMBUSGHV-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.92
Rot. Bonds

About 1,2,4,4-tetramethylcycloheptene

1,2,4,4-tetramethylcycloheptene (PubChem CID 14029510) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 1,2,4,4-tetramethylcycloheptene.

Molecular Properties

Compound Name1,2,4,4-tetramethylcycloheptene
PubChem CID14029510
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name1,2,4,4-tetramethylcycloheptene
SMILESCC1=C(C)CC(C)(C)CCC1
InChIInChI=1S/C11H20/c1-9-6-5-7-11(3,4)8-10(9)2/h5-8H2,1-4H3
InChIKeyVYDCEQSMBUSGHV-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.92
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 1,2,4,4-tetramethylcycloheptene?
The IUPAC name of 1,2,4,4-tetramethylcycloheptene (CID 14029510) is 1,2,4,4-tetramethylcycloheptene.
What is the SMILES notation for 1,2,4,4-tetramethylcycloheptene?
The canonical SMILES for 1,2,4,4-tetramethylcycloheptene is CC1=C(C)CC(C)(C)CCC1.
What is the InChIKey of 1,2,4,4-tetramethylcycloheptene?
The InChIKey is VYDCEQSMBUSGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-9-6-5-7-11(3,4)8-10(9)2/h5-8H2,1-4H3.
What are the key properties of 1,2,4,4-tetramethylcycloheptene?
1,2,4,4-tetramethylcycloheptene has a molecular weight of 152.28 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,4-tetramethylcycloheptene is sourced from PubChem (CID 14029510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).