1,2-dimethylspiro[2.4]hepta-4,6-diene

C9H12 — CID 13262614

IUPAC1,2-dimethylspiro[2.4]hepta-4,6-diene
SMILESCC1C(C)C12C=CC=C2
InChIInChI=1S/C9H12/c1-7-8(2)9(7)5-3-4-6-9/h3-8H,1-2H3
InChIKeyWZCUFAJHWZFPLU-UHFFFAOYSA-N
MW120.19 g/mol
LogP2.38
Rot. Bonds

About 1,2-dimethylspiro[2.4]hepta-4,6-diene

1,2-dimethylspiro[2.4]hepta-4,6-diene (PubChem CID 13262614) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is 1,2-dimethylspiro[2.4]hepta-4,6-diene.

Molecular Properties

Compound Name1,2-dimethylspiro[2.4]hepta-4,6-diene
PubChem CID13262614
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Name1,2-dimethylspiro[2.4]hepta-4,6-diene
SMILESCC1C(C)C12C=CC=C2
InChIInChI=1S/C9H12/c1-7-8(2)9(7)5-3-4-6-9/h3-8H,1-2H3
InChIKeyWZCUFAJHWZFPLU-UHFFFAOYSA-N
XLogP2.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.19
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-Isopropyl-4-methylenebicyclo(3.1.0)hex-2-ene
CID 524198
Npc178565
CID 572119
(3R,4S)-3-[(1E)-buta-1,3-dienyl]-4-ethenylcyclopentene
CID 101688218
Spiro(bicyclo(2.2.1)hepta-2,5-diene-7,1'-cyclopropane)
CID 138922
(1S)-4,4,6,6-tetramethylbicyclo[3.1.0]hex-2-ene
CID 162825067
(3R,4R)-3-[(1Z)-buta-1,3-dienyl]-4-ethenylcyclopentene
CID 163104392
1-Methylspiro(2.4)hepta-4,6-diene
CID 138183
2,4-Thujadiene
CID 85582292
4,4,6,6-Tetramethylbicyclo[3.1.0]hex-2-ene
CID 578424
1,3-Cyclohexadiene, 5-(1,1-dimethylethyl)-
CID 556263
Npc328211
CID 5316892
5,5-Dimethylbicyclo(2.1.0)pent-2-ene
CID 144660

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylspiro[2.4]hepta-4,6-diene?
The IUPAC name of 1,2-dimethylspiro[2.4]hepta-4,6-diene (CID 13262614) is 1,2-dimethylspiro[2.4]hepta-4,6-diene.
What is the SMILES notation for 1,2-dimethylspiro[2.4]hepta-4,6-diene?
The canonical SMILES for 1,2-dimethylspiro[2.4]hepta-4,6-diene is CC1C(C)C12C=CC=C2.
What is the InChIKey of 1,2-dimethylspiro[2.4]hepta-4,6-diene?
The InChIKey is WZCUFAJHWZFPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12/c1-7-8(2)9(7)5-3-4-6-9/h3-8H,1-2H3.
What are the key properties of 1,2-dimethylspiro[2.4]hepta-4,6-diene?
1,2-dimethylspiro[2.4]hepta-4,6-diene has a molecular weight of 120.19 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylspiro[2.4]hepta-4,6-diene is sourced from PubChem (CID 13262614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).