3-methylbicyclo[5.2.1]deca-1(10),3,4-triene

C11H14 — CID 163608088

IUPAC3-methylbicyclo[5.2.1]deca-1(10),3,4-triene
SMILESCC1=C=CCC2C=C(CC2)C1
InChIInChI=1S/C11H14/c1-9-3-2-4-10-5-6-11(7-9)8-10/h2,8,10H,4-7H2,1H3
InChIKeyHDNJIEVKICYNSP-UHFFFAOYSA-N
MW146.23 g/mol
LogP3.22
Rot. Bonds

About 3-methylbicyclo[5.2.1]deca-1(10),3,4-triene

3-methylbicyclo[5.2.1]deca-1(10),3,4-triene (PubChem CID 163608088) has the molecular formula C11H14 and a molecular weight of 146.23 g/mol. Its IUPAC name is 3-methylbicyclo[5.2.1]deca-1(10),3,4-triene.

Molecular Properties

Compound Name3-methylbicyclo[5.2.1]deca-1(10),3,4-triene
PubChem CID163608088
Molecular FormulaC11H14
Molecular Weight146.23 g/mol
Exact Mass146.11
IUPAC Name3-methylbicyclo[5.2.1]deca-1(10),3,4-triene
SMILESCC1=C=CCC2C=C(CC2)C1
InChIInChI=1S/C11H14/c1-9-3-2-4-10-5-6-11(7-9)8-10/h2,8,10H,4-7H2,1H3
InChIKeyHDNJIEVKICYNSP-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 53.22
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

1,5-dimethylcyclohexa-1,2-diene;ethane
CID 142867199
(5S)-bicyclo[3.2.1]oct-1(8)-ene
CID 154518637
CID 143720881
CID 143720881
bicyclo[3.2.2]nona-1(7),3-diene
CID 90933303
3-methylcyclohexa-1,2,4-triene
CID 91064189
(4aR)-2-methyl-3,4,4a,5-tetrahydroquinoline
CID 137417383
1,4-dimethyl(113C)cyclohexene
CID 11018826
2-methylidenebicyclo[3.2.1]oct-1(8)-ene
CID 147295924
ethane;3-ethyl-2,5-dimethylcyclohexa-1,3-diene
CID 142036504
2-(4-methylcyclohex-3-en-1-yl)propan-2-ol
CID 23186359
4-ethyl-1,4-dimethylcyclohexa-1,2-diene
CID 163577180
(1S,6R)-6-(2-hydroxypropan-2-yl)-3-methylcyclohex-2-en-1-ol
CID 6431167

Frequently Asked Questions

What is the IUPAC name of 3-methylbicyclo[5.2.1]deca-1(10),3,4-triene?
The IUPAC name of 3-methylbicyclo[5.2.1]deca-1(10),3,4-triene (CID 163608088) is 3-methylbicyclo[5.2.1]deca-1(10),3,4-triene.
What is the SMILES notation for 3-methylbicyclo[5.2.1]deca-1(10),3,4-triene?
The canonical SMILES for 3-methylbicyclo[5.2.1]deca-1(10),3,4-triene is CC1=C=CCC2C=C(CC2)C1.
What is the InChIKey of 3-methylbicyclo[5.2.1]deca-1(10),3,4-triene?
The InChIKey is HDNJIEVKICYNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14/c1-9-3-2-4-10-5-6-11(7-9)8-10/h2,8,10H,4-7H2,1H3.
What are the key properties of 3-methylbicyclo[5.2.1]deca-1(10),3,4-triene?
3-methylbicyclo[5.2.1]deca-1(10),3,4-triene has a molecular weight of 146.23 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbicyclo[5.2.1]deca-1(10),3,4-triene is sourced from PubChem (CID 163608088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).