3-ethyl-4-propan-2-ylbicyclo[4.1.0]hepta-2,4-diene

C12H18 — CID 157035643

IUPAC3-ethyl-4-propan-2-ylbicyclo[4.1.0]hepta-2,4-diene
SMILESCCC1=CC2CC2C=C1C(C)C
InChIInChI=1S/C12H18/c1-4-9-5-10-6-11(10)7-12(9)8(2)3/h5,7-8,10-11H,4,6H2,1-3H3
InChIKeyJFQFYPGCNMMUOV-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.55
Rot. Bonds2

About 3-ethyl-4-propan-2-ylbicyclo[4.1.0]hepta-2,4-diene

3-ethyl-4-propan-2-ylbicyclo[4.1.0]hepta-2,4-diene (PubChem CID 157035643) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 3-ethyl-4-propan-2-ylbicyclo[4.1.0]hepta-2,4-diene.

Molecular Properties

Compound Name3-ethyl-4-propan-2-ylbicyclo[4.1.0]hepta-2,4-diene
PubChem CID157035643
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name3-ethyl-4-propan-2-ylbicyclo[4.1.0]hepta-2,4-diene
SMILESCCC1=CC2CC2C=C1C(C)C
InChIInChI=1S/C12H18/c1-4-9-5-10-6-11(10)7-12(9)8(2)3/h5,7-8,10-11H,4,6H2,1-3H3
InChIKeyJFQFYPGCNMMUOV-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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

1-(4-ethyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)ethanone
CID 142224462
ethane;1-(4-ethyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)ethanone
CID 142224461
3,5-diethyl-2-methylcyclohexa-1,3-diene
CID 142581165
(3aS,7aR)-6-ethyl-3,3a,4,7a-tetrahydro-1H-2-benzofuran-5-one
CID 101347440
2,3-diethyl-5-methylcyclopenta-1,3-diene
CID 152862708
1,3,5-triethylcyclopentene
CID 157204030
(4S)-2-ethyl-4-hydroxycyclopent-2-en-1-one
CID 58922282
5-chloro-2-methyl-3-propan-2-ylcyclohexa-1,3-diene
CID 172602066
ethane;3-propan-2-yl-6,6a-dihydro-5aH-cyclopropa[g]cinnoline
CID 176971846
ethane;3-ethyl-2,5-dimethylcyclohexa-1,3-diene
CID 142036504
3-methyl-4-[(4S)-4-methylhexyl]cyclohexa-2,4-diene-1-thiol
CID 89228152
(2R)-4-ethyl-2-hydroxy-2H-furan-5-one
CID 124583750

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-propan-2-ylbicyclo[4.1.0]hepta-2,4-diene?
The IUPAC name of 3-ethyl-4-propan-2-ylbicyclo[4.1.0]hepta-2,4-diene (CID 157035643) is 3-ethyl-4-propan-2-ylbicyclo[4.1.0]hepta-2,4-diene.
What is the SMILES notation for 3-ethyl-4-propan-2-ylbicyclo[4.1.0]hepta-2,4-diene?
The canonical SMILES for 3-ethyl-4-propan-2-ylbicyclo[4.1.0]hepta-2,4-diene is CCC1=CC2CC2C=C1C(C)C.
What is the InChIKey of 3-ethyl-4-propan-2-ylbicyclo[4.1.0]hepta-2,4-diene?
The InChIKey is JFQFYPGCNMMUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-4-9-5-10-6-11(10)7-12(9)8(2)3/h5,7-8,10-11H,4,6H2,1-3H3.
What are the key properties of 3-ethyl-4-propan-2-ylbicyclo[4.1.0]hepta-2,4-diene?
3-ethyl-4-propan-2-ylbicyclo[4.1.0]hepta-2,4-diene has a molecular weight of 162.28 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-propan-2-ylbicyclo[4.1.0]hepta-2,4-diene is sourced from PubChem (CID 157035643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).