2-ethenyl-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene

C12H18 — CID 576719

IUPAC2-ethenyl-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene
SMILESC=CC1=CC2CCC1(C)C2(C)C
InChIInChI=1S/C12H18/c1-5-9-8-10-6-7-12(9,4)11(10,2)3/h5,8,10H,1,6-7H2,2-4H3
InChIKeyDNDLHRMVKMCSOS-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.55
Rot. Bonds1

About 2-ethenyl-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene

2-ethenyl-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene (PubChem CID 576719) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 2-ethenyl-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name2-ethenyl-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene
PubChem CID576719
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name2-ethenyl-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene
SMILESC=CC1=CC2CCC1(C)C2(C)C
InChIInChI=1S/C12H18/c1-5-9-8-10-6-7-12(9,4)11(10,2)3/h5,8,10H,1,6-7H2,2-4H3
InChIKeyDNDLHRMVKMCSOS-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

beta-Santalene
CID 10889018
Methylcyclopentadiene dimer
CID 3033878
2,5-Dimethyldicyclopentadiene
CID 3437714
Norbornane, 2-methyl-3-methylene-2-(4-methyl-3-pentenyl)-
CID 10534
Bornylene
CID 10047
Bicyclo[2.2.1]hept-2-ene, 5-octyl-
CID 15701270
Premnaspirodiene
CID 14355861
alpha-Acoradiene
CID 90351
Cascarilladiene
CID 570507
4,5,9,10-Dehydro-isolongifolene
CID 588771
Npc249695
CID 608753
beta-Acoradiene
CID 20055537

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of 2-ethenyl-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene (CID 576719) is 2-ethenyl-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 2-ethenyl-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 2-ethenyl-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene is C=CC1=CC2CCC1(C)C2(C)C.
What is the InChIKey of 2-ethenyl-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene?
The InChIKey is DNDLHRMVKMCSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-5-9-8-10-6-7-12(9,4)11(10,2)3/h5,8,10H,1,6-7H2,2-4H3.
What are the key properties of 2-ethenyl-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene?
2-ethenyl-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene has a molecular weight of 162.28 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 576719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).