2,4,6-trimethylbicyclo[3.2.0]hept-6-ene

C10H16 — CID 140744429

IUPAC2,4,6-trimethylbicyclo[3.2.0]hept-6-ene
SMILESCC1=CC2C(C)CC(C)C12
InChIInChI=1S/C10H16/c1-6-4-7(2)10-8(3)5-9(6)10/h5-7,9-10H,4H2,1-3H3
InChIKeyZWGGLEPHHGEQNK-UHFFFAOYSA-N
MW136.24 g/mol
LogP2.85
Rot. Bonds

About 2,4,6-trimethylbicyclo[3.2.0]hept-6-ene

2,4,6-trimethylbicyclo[3.2.0]hept-6-ene (PubChem CID 140744429) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 2,4,6-trimethylbicyclo[3.2.0]hept-6-ene.

Molecular Properties

Compound Name2,4,6-trimethylbicyclo[3.2.0]hept-6-ene
PubChem CID140744429
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name2,4,6-trimethylbicyclo[3.2.0]hept-6-ene
SMILESCC1=CC2C(C)CC(C)C12
InChIInChI=1S/C10H16/c1-6-4-7(2)10-8(3)5-9(6)10/h5-7,9-10H,4H2,1-3H3
InChIKeyZWGGLEPHHGEQNK-UHFFFAOYSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 52.85
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

alpha-Bulnesene
CID 94275
3,8-Dimethyl-5-(prop-1-en-2-yl)-1,2,3,3a,4,5,6,7-octahydroazulene
CID 520826
gamma-Gurjunene
CID 15560285
2,5-Dimethyldicyclopentadiene
CID 3437714
1,4-Dimethyl-7-(prop-1-en-2-yl)-1,2,3,3a,4,5,6,7-octahydroazulene
CID 90805
alpha-Panasinsene
CID 578929
Bicyclo[2.2.1]hept-2-ene, 5-octyl-
CID 15701270
Premnaspirodiene
CID 14355861
alpha-Acoradiene
CID 90351
(+)-Guaia-6,9-diene
CID 14190790
beta-Acoradiene
CID 20055537
alpha-Bourbonene
CID 530816

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethylbicyclo[3.2.0]hept-6-ene?
The IUPAC name of 2,4,6-trimethylbicyclo[3.2.0]hept-6-ene (CID 140744429) is 2,4,6-trimethylbicyclo[3.2.0]hept-6-ene.
What is the SMILES notation for 2,4,6-trimethylbicyclo[3.2.0]hept-6-ene?
The canonical SMILES for 2,4,6-trimethylbicyclo[3.2.0]hept-6-ene is CC1=CC2C(C)CC(C)C12.
What is the InChIKey of 2,4,6-trimethylbicyclo[3.2.0]hept-6-ene?
The InChIKey is ZWGGLEPHHGEQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-6-4-7(2)10-8(3)5-9(6)10/h5-7,9-10H,4H2,1-3H3.
What are the key properties of 2,4,6-trimethylbicyclo[3.2.0]hept-6-ene?
2,4,6-trimethylbicyclo[3.2.0]hept-6-ene has a molecular weight of 136.24 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethylbicyclo[3.2.0]hept-6-ene is sourced from PubChem (CID 140744429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).