3,7,7-trimethylbicyclo[4.1.0]hepta-2,4-diene

C10H14 — CID 86128380

IUPAC3,7,7-trimethylbicyclo[4.1.0]hepta-2,4-diene
SMILESCC1=CC2C(C=C1)C2(C)C
InChIInChI=1S/C10H14/c1-7-4-5-8-9(6-7)10(8,2)3/h4-6,8-9H,1-3H3
InChIKeyCDGOTTHYSYGVDL-UHFFFAOYSA-N
MW134.22 g/mol
LogP2.77
Rot. Bonds

About 3,7,7-trimethylbicyclo[4.1.0]hepta-2,4-diene

3,7,7-trimethylbicyclo[4.1.0]hepta-2,4-diene (PubChem CID 86128380) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 3,7,7-trimethylbicyclo[4.1.0]hepta-2,4-diene.

Molecular Properties

Compound Name3,7,7-trimethylbicyclo[4.1.0]hepta-2,4-diene
PubChem CID86128380
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name3,7,7-trimethylbicyclo[4.1.0]hepta-2,4-diene
SMILESCC1=CC2C(C=C1)C2(C)C
InChIInChI=1S/C10H14/c1-7-4-5-8-9(6-7)10(8,2)3/h4-6,8-9H,1-3H3
InChIKeyCDGOTTHYSYGVDL-UHFFFAOYSA-N
XLogP2.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,7,7-trimethylbicyclo[4.1.0]hepta-2,4-diene?
The IUPAC name of 3,7,7-trimethylbicyclo[4.1.0]hepta-2,4-diene (CID 86128380) is 3,7,7-trimethylbicyclo[4.1.0]hepta-2,4-diene.
What is the SMILES notation for 3,7,7-trimethylbicyclo[4.1.0]hepta-2,4-diene?
The canonical SMILES for 3,7,7-trimethylbicyclo[4.1.0]hepta-2,4-diene is CC1=CC2C(C=C1)C2(C)C.
What is the InChIKey of 3,7,7-trimethylbicyclo[4.1.0]hepta-2,4-diene?
The InChIKey is CDGOTTHYSYGVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-7-4-5-8-9(6-7)10(8,2)3/h4-6,8-9H,1-3H3.
What are the key properties of 3,7,7-trimethylbicyclo[4.1.0]hepta-2,4-diene?
3,7,7-trimethylbicyclo[4.1.0]hepta-2,4-diene has a molecular weight of 134.22 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,7-trimethylbicyclo[4.1.0]hepta-2,4-diene is sourced from PubChem (CID 86128380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).