1,3,5,7-tetramethylbicyclo[5.1.0]octa-2,5-diene

C12H18 — CID 101126503

IUPAC1,3,5,7-tetramethylbicyclo[5.1.0]octa-2,5-diene
SMILESCC1=CC2(C)CC2(C)C=C(C)C1
InChIInChI=1S/C12H18/c1-9-5-10(2)7-12(4)8-11(12,3)6-9/h6-7H,5,8H2,1-4H3
InChIKeyZAOVGOCHCXYEKR-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.70
Rot. Bonds

About 1,3,5,7-tetramethylbicyclo[5.1.0]octa-2,5-diene

1,3,5,7-tetramethylbicyclo[5.1.0]octa-2,5-diene (PubChem CID 101126503) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 1,3,5,7-tetramethylbicyclo[5.1.0]octa-2,5-diene.

Molecular Properties

Compound Name1,3,5,7-tetramethylbicyclo[5.1.0]octa-2,5-diene
PubChem CID101126503
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name1,3,5,7-tetramethylbicyclo[5.1.0]octa-2,5-diene
SMILESCC1=CC2(C)CC2(C)C=C(C)C1
InChIInChI=1S/C12H18/c1-9-5-10(2)7-12(4)8-11(12,3)6-9/h6-7H,5,8H2,1-4H3
InChIKeyZAOVGOCHCXYEKR-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-1,3,5-trimethylcyclohexa-1,4-diene
CID 173366830
3-(1,3-dimethylcyclohex-2-en-1-yl)-1,3-dimethylcyclohexene
CID 10751327
1,3,3-trimethyl-5,5-di(propan-2-yl)cyclohexene
CID 174872220
[(1S)-3,5,5-trimethylcyclopent-2-en-1-yl]methanol
CID 167184957
2,3-dimethylspiro[3.3]hept-1-ene
CID 123913952
6,6,8-trimethyl-1,4-dithiaspiro[4.5]dec-7-ene
CID 11106902
1,2,3,4-tetramethylbicyclo[2.1.1]hex-2-ene
CID 123953331
3,3,5-trimethyl-2,6-dihydro-1H-pyridine
CID 154201736
(1R,4S)-1,2,4,7,7-pentamethylbicyclo[2.2.1]hept-2-ene
CID 11768906
(5R)-4,4,9-trimethyl-2,6-dioxaspiro[4.5]dec-9-ene-1,7-dione
CID 162418441
1-(3a,5,6a-trimethyl-1,2,3,4-tetrahydropentalen-2-yl)azetidine
CID 59877177
bis(3,5,5-trimethylcyclohex-2-en-1-one);bis(3,5,5-trimethylcyclohex-3-en-1-one)
CID 159666803

Frequently Asked Questions

What is the IUPAC name of 1,3,5,7-tetramethylbicyclo[5.1.0]octa-2,5-diene?
The IUPAC name of 1,3,5,7-tetramethylbicyclo[5.1.0]octa-2,5-diene (CID 101126503) is 1,3,5,7-tetramethylbicyclo[5.1.0]octa-2,5-diene.
What is the SMILES notation for 1,3,5,7-tetramethylbicyclo[5.1.0]octa-2,5-diene?
The canonical SMILES for 1,3,5,7-tetramethylbicyclo[5.1.0]octa-2,5-diene is CC1=CC2(C)CC2(C)C=C(C)C1.
What is the InChIKey of 1,3,5,7-tetramethylbicyclo[5.1.0]octa-2,5-diene?
The InChIKey is ZAOVGOCHCXYEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-9-5-10(2)7-12(4)8-11(12,3)6-9/h6-7H,5,8H2,1-4H3.
What are the key properties of 1,3,5,7-tetramethylbicyclo[5.1.0]octa-2,5-diene?
1,3,5,7-tetramethylbicyclo[5.1.0]octa-2,5-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 1,3,5,7-tetramethylbicyclo[5.1.0]octa-2,5-diene is sourced from PubChem (CID 101126503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).