ethane;3-(2-methyl-1-phenylprop-1-enyl)bicyclo[4.1.0]hepta-2,4-diene

C23H36 — CID 143920230

IUPACethane;3-(2-methyl-1-phenylprop-1-enyl)bicyclo[4.1.0]hepta-2,4-diene
SMILESCC.CC.CC.CC(C)=C(C1=CC2CC2C=C1)c1ccccc1
InChIInChI=1S/C17H18.3C2H6/c1-12(2)17(13-6-4-3-5-7-13)15-9-8-14-10-16(14)11-15;3*1-2/h3-9,11,14,16H,10H2,1-2H3;3*1-2H3
InChIKeyIISCIMLPRDBIGR-UHFFFAOYSA-N
MW312.54 g/mol
LogP7.69
Rot. Bonds2

About ethane;3-(2-methyl-1-phenylprop-1-enyl)bicyclo[4.1.0]hepta-2,4-diene

ethane;3-(2-methyl-1-phenylprop-1-enyl)bicyclo[4.1.0]hepta-2,4-diene (PubChem CID 143920230) has the molecular formula C23H36 and a molecular weight of 312.54 g/mol. Its IUPAC name is ethane;3-(2-methyl-1-phenylprop-1-enyl)bicyclo[4.1.0]hepta-2,4-diene.

Molecular Properties

Compound Nameethane;3-(2-methyl-1-phenylprop-1-enyl)bicyclo[4.1.0]hepta-2,4-diene
PubChem CID143920230
Molecular FormulaC23H36
Molecular Weight312.54 g/mol
Exact Mass312.28
IUPAC Nameethane;3-(2-methyl-1-phenylprop-1-enyl)bicyclo[4.1.0]hepta-2,4-diene
SMILESCC.CC.CC.CC(C)=C(C1=CC2CC2C=C1)c1ccccc1
InChIInChI=1S/C17H18.3C2H6/c1-12(2)17(13-6-4-3-5-7-13)15-9-8-14-10-16(14)11-15;3*1-2/h3-9,11,14,16H,10H2,1-2H3;3*1-2H3
InChIKeyIISCIMLPRDBIGR-UHFFFAOYSA-N
XLogP7.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-bicyclo[4.1.0]hepta-2,4-dienyl(phenyl)methanone
CID 143087157
ethane;3-phenoxybicyclo[4.1.0]hepta-2,4-diene
CID 143624707
CID 166464887
CID 166464887
(2-acetylcyclohexa-1,5-dien-1-yl)-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-methyl-phenylphosphanium;ethane
CID 176696326
3-methylbicyclo[4.1.0]hepta-2,4-diene
CID 123395946
1-bromo-4-(2-methyl-1-phenylprop-1-enyl)benzene
CID 15039495
4-[1-(3-bicyclo[4.1.0]hepta-2,4-dienyl)ethenyl]-1,3-thiazole;ethane
CID 169190332
N-[2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)phenyl]acetamide;molecular hydrogen
CID 142172537
ethane;3-methylbut-2-en-2-ylbenzene
CID 91173123
N-methyl-N-phenylbicyclo[4.1.0]hepta-2,4-dien-3-amine;toluene
CID 144622736
(2,3-dimethyl-1-phenylbut-1-enyl)benzene
CID 15438795
[(1R,2R,3S,4R)-3-benzoyl-2-bicyclo[2.2.1]hept-5-enyl]-phenylmethanone
CID 98136767

Frequently Asked Questions

What is the IUPAC name of ethane;3-(2-methyl-1-phenylprop-1-enyl)bicyclo[4.1.0]hepta-2,4-diene?
The IUPAC name of ethane;3-(2-methyl-1-phenylprop-1-enyl)bicyclo[4.1.0]hepta-2,4-diene (CID 143920230) is ethane;3-(2-methyl-1-phenylprop-1-enyl)bicyclo[4.1.0]hepta-2,4-diene.
What is the SMILES notation for ethane;3-(2-methyl-1-phenylprop-1-enyl)bicyclo[4.1.0]hepta-2,4-diene?
The canonical SMILES for ethane;3-(2-methyl-1-phenylprop-1-enyl)bicyclo[4.1.0]hepta-2,4-diene is CC.CC.CC.CC(C)=C(C1=CC2CC2C=C1)c1ccccc1.
What is the InChIKey of ethane;3-(2-methyl-1-phenylprop-1-enyl)bicyclo[4.1.0]hepta-2,4-diene?
The InChIKey is IISCIMLPRDBIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18.3C2H6/c1-12(2)17(13-6-4-3-5-7-13)15-9-8-14-10-16(14)11-15;3*1-2/h3-9,11,14,16H,10H2,1-2H3;3*1-2H3.
What are the key properties of ethane;3-(2-methyl-1-phenylprop-1-enyl)bicyclo[4.1.0]hepta-2,4-diene?
ethane;3-(2-methyl-1-phenylprop-1-enyl)bicyclo[4.1.0]hepta-2,4-diene has a molecular weight of 312.54 g/mol, XLogP of 7.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(2-methyl-1-phenylprop-1-enyl)bicyclo[4.1.0]hepta-2,4-diene is sourced from PubChem (CID 143920230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).