5,5,9-trimethylspiro[2.6]nona-6,8-diene

C12H18 — CID 86017619

IUPAC5,5,9-trimethylspiro[2.6]nona-6,8-diene
SMILESCC1=CC=CC(C)(C)CC12CC2
InChIInChI=1S/C12H18/c1-10-5-4-6-11(2,3)9-12(10)7-8-12/h4-6H,7-9H2,1-3H3
InChIKeyFQXBUBXVKXZMFB-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.70
Rot. Bonds

About 5,5,9-trimethylspiro[2.6]nona-6,8-diene

5,5,9-trimethylspiro[2.6]nona-6,8-diene (PubChem CID 86017619) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 5,5,9-trimethylspiro[2.6]nona-6,8-diene.

Molecular Properties

Compound Name5,5,9-trimethylspiro[2.6]nona-6,8-diene
PubChem CID86017619
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name5,5,9-trimethylspiro[2.6]nona-6,8-diene
SMILESCC1=CC=CC(C)(C)CC12CC2
InChIInChI=1S/C12H18/c1-10-5-4-6-11(2,3)9-12(10)7-8-12/h4-6H,7-9H2,1-3H3
InChIKeyFQXBUBXVKXZMFB-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 129170627
(1S,6S)-2-methyltricyclo[4.4.2.01,6]dodeca-2,4,11-triene
CID 95564926
1,6,6-trimethylcyclohexa-1,3-diene
CID 57009122
CID 159406774
CID 159406774
azanium 1,5-dimethylcyclohexa-2,4-diene-1-sulfonate
CID 141478891
(1R)-1,4,4-trimethylcyclopent-2-en-1-ol
CID 101438064
5,5-dimethylcyclohexa-1,3-diene;1,2-xylene
CID 175128214
5,5-dimethylbicyclo[4.1.0]hepta-1,3-diene
CID 86733476
[(Z)-(2,6,6-trimethylcyclohepta-2,4-dien-1-ylidene)amino]urea
CID 6045203
1-(6-methylspiro[3,4-dihydro-2H-benzo[7]annulene-1,1'-cyclopropane]-6-yl)ethanone
CID 142003178
(6-hydroxy-1,2-dimethylcyclohexa-2,4-dien-1-yl) acetate
CID 174521140

Frequently Asked Questions

What is the IUPAC name of 5,5,9-trimethylspiro[2.6]nona-6,8-diene?
The IUPAC name of 5,5,9-trimethylspiro[2.6]nona-6,8-diene (CID 86017619) is 5,5,9-trimethylspiro[2.6]nona-6,8-diene.
What is the SMILES notation for 5,5,9-trimethylspiro[2.6]nona-6,8-diene?
The canonical SMILES for 5,5,9-trimethylspiro[2.6]nona-6,8-diene is CC1=CC=CC(C)(C)CC12CC2.
What is the InChIKey of 5,5,9-trimethylspiro[2.6]nona-6,8-diene?
The InChIKey is FQXBUBXVKXZMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-10-5-4-6-11(2,3)9-12(10)7-8-12/h4-6H,7-9H2,1-3H3.
What are the key properties of 5,5,9-trimethylspiro[2.6]nona-6,8-diene?
5,5,9-trimethylspiro[2.6]nona-6,8-diene has a molecular weight of 162.28 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,9-trimethylspiro[2.6]nona-6,8-diene is sourced from PubChem (CID 86017619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).