3,8-diethyl-2,7-dimethylspiro[4.4]nona-2,7-diene

C15H24 — CID 142016441

IUPAC3,8-diethyl-2,7-dimethylspiro[4.4]nona-2,7-diene
SMILESCCC1=C(C)CC2(CC(C)=C(CC)C2)C1
InChIInChI=1S/C15H24/c1-5-13-9-15(7-11(13)3)8-12(4)14(6-2)10-15/h5-10H2,1-4H3
InChIKeyUQMCPKRGAPSDDE-UHFFFAOYSA-N
MW204.36 g/mol
LogP5.01
Rot. Bonds2

About 3,8-diethyl-2,7-dimethylspiro[4.4]nona-2,7-diene

3,8-diethyl-2,7-dimethylspiro[4.4]nona-2,7-diene (PubChem CID 142016441) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 3,8-diethyl-2,7-dimethylspiro[4.4]nona-2,7-diene.

Molecular Properties

Compound Name3,8-diethyl-2,7-dimethylspiro[4.4]nona-2,7-diene
PubChem CID142016441
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name3,8-diethyl-2,7-dimethylspiro[4.4]nona-2,7-diene
SMILESCCC1=C(C)CC2(CC(C)=C(CC)C2)C1
InChIInChI=1S/C15H24/c1-5-13-9-15(7-11(13)3)8-12(4)14(6-2)10-15/h5-10H2,1-4H3
InChIKeyUQMCPKRGAPSDDE-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500204.36
LogP ≤ 55.01
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
Cyclopentene, 1,2,3,3,4-pentamethyl-
CID 579269
4-Isopropenyl-1,2,4-trimethyl-1-cyclohexene
CID 252329
1,2,3,3-Tetramethylcyclopentene
CID 14141137
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

Frequently Asked Questions

What is the IUPAC name of 3,8-diethyl-2,7-dimethylspiro[4.4]nona-2,7-diene?
The IUPAC name of 3,8-diethyl-2,7-dimethylspiro[4.4]nona-2,7-diene (CID 142016441) is 3,8-diethyl-2,7-dimethylspiro[4.4]nona-2,7-diene.
What is the SMILES notation for 3,8-diethyl-2,7-dimethylspiro[4.4]nona-2,7-diene?
The canonical SMILES for 3,8-diethyl-2,7-dimethylspiro[4.4]nona-2,7-diene is CCC1=C(C)CC2(CC(C)=C(CC)C2)C1.
What is the InChIKey of 3,8-diethyl-2,7-dimethylspiro[4.4]nona-2,7-diene?
The InChIKey is UQMCPKRGAPSDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-5-13-9-15(7-11(13)3)8-12(4)14(6-2)10-15/h5-10H2,1-4H3.
What are the key properties of 3,8-diethyl-2,7-dimethylspiro[4.4]nona-2,7-diene?
3,8-diethyl-2,7-dimethylspiro[4.4]nona-2,7-diene has a molecular weight of 204.36 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-diethyl-2,7-dimethylspiro[4.4]nona-2,7-diene is sourced from PubChem (CID 142016441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).