2,2,3,4-tetramethylspiro[4.4]non-3-ene

C13H22 — CID 123214983

IUPAC2,2,3,4-tetramethylspiro[4.4]non-3-ene
SMILESCC1=C(C)C2(CCCC2)CC1(C)C
InChIInChI=1S/C13H22/c1-10-11(2)13(7-5-6-8-13)9-12(10,3)4/h5-9H2,1-4H3
InChIKeyIAPGVJVFTWJLMH-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.31
Rot. Bonds

About 2,2,3,4-tetramethylspiro[4.4]non-3-ene

2,2,3,4-tetramethylspiro[4.4]non-3-ene (PubChem CID 123214983) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 2,2,3,4-tetramethylspiro[4.4]non-3-ene.

Molecular Properties

Compound Name2,2,3,4-tetramethylspiro[4.4]non-3-ene
PubChem CID123214983
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name2,2,3,4-tetramethylspiro[4.4]non-3-ene
SMILESCC1=C(C)C2(CCCC2)CC1(C)C
InChIInChI=1S/C13H22/c1-10-11(2)13(7-5-6-8-13)9-12(10,3)4/h5-9H2,1-4H3
InChIKeyIAPGVJVFTWJLMH-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.31
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

1,2,4,4-Tetramethylcyclopentene
CID 144123
epsilon-Fenchene
CID 6452384
1,2,3,3-Tetramethylcyclopentene
CID 14141137
4-Camphen
CID 129848108
1,2,3,3-Tetramethylcyclohexene
CID 11287951
1,2,4,4-Tetramethylcycloheptene
CID 14029510
1,2,5,5-Tetramethylcycloheptene
CID 14029511
Octamethylcyclopentene
CID 13293893
Cyclopentene, 1,3-dimethyl-2-(1-methylethyl)-
CID 579282
Cyclohexene, 2-butyl-1,3,3-trimethyl-
CID 596705
1,1-Dimethyl-2-(1-methylethylidene)-cyclopentane
CID 85980835
1,2-Di(t-butyl)cyclopent-1-ene
CID 10559298

Frequently Asked Questions

What is the IUPAC name of 2,2,3,4-tetramethylspiro[4.4]non-3-ene?
The IUPAC name of 2,2,3,4-tetramethylspiro[4.4]non-3-ene (CID 123214983) is 2,2,3,4-tetramethylspiro[4.4]non-3-ene.
What is the SMILES notation for 2,2,3,4-tetramethylspiro[4.4]non-3-ene?
The canonical SMILES for 2,2,3,4-tetramethylspiro[4.4]non-3-ene is CC1=C(C)C2(CCCC2)CC1(C)C.
What is the InChIKey of 2,2,3,4-tetramethylspiro[4.4]non-3-ene?
The InChIKey is IAPGVJVFTWJLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-10-11(2)13(7-5-6-8-13)9-12(10,3)4/h5-9H2,1-4H3.
What are the key properties of 2,2,3,4-tetramethylspiro[4.4]non-3-ene?
2,2,3,4-tetramethylspiro[4.4]non-3-ene has a molecular weight of 178.32 g/mol, XLogP of 4.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4-tetramethylspiro[4.4]non-3-ene is sourced from PubChem (CID 123214983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).