ethane;ethylbenzene;1-methyl-4-[(3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)propyl]benzene

C27H34 — CID 145358352

IUPACethane;ethylbenzene;1-methyl-4-[(3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)propyl]benzene
SMILESC=c1cccc/c1=C/CCc1ccc(C)cc1.CC.CCc1ccccc1
InChIInChI=1S/C17H18.C8H10.C2H6/c1-14-10-12-16(13-11-14)7-5-9-17-8-4-3-6-15(17)2;1-2-8-6-4-3-5-7-8;1-2/h3-4,6,8-13H,2,5,7H2,1H3;3-7H,2H2,1H3;1-2H3/b17-9-;;
InChIKeyCQSOSXUYSZSTOB-OGJWMQTISA-N
MW358.57 g/mol
LogP6.09
Rot. Bonds4

About ethane;ethylbenzene;1-methyl-4-[(3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)propyl]benzene

ethane;ethylbenzene;1-methyl-4-[(3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)propyl]benzene (PubChem CID 145358352) has the molecular formula C27H34 and a molecular weight of 358.57 g/mol. Its IUPAC name is ethane;ethylbenzene;1-methyl-4-[(3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)propyl]benzene.

Molecular Properties

Compound Nameethane;ethylbenzene;1-methyl-4-[(3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)propyl]benzene
PubChem CID145358352
Molecular FormulaC27H34
Molecular Weight358.57 g/mol
Exact Mass358.27
IUPAC Nameethane;ethylbenzene;1-methyl-4-[(3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)propyl]benzene
SMILESC=c1cccc/c1=C/CCc1ccc(C)cc1.CC.CCc1ccccc1
InChIInChI=1S/C17H18.C8H10.C2H6/c1-14-10-12-16(13-11-14)7-5-9-17-8-4-3-6-15(17)2;1-2-8-6-4-3-5-7-8;1-2/h3-4,6,8-13H,2,5,7H2,1H3;3-7H,2H2,1H3;1-2H3/b17-9-;;
InChIKeyCQSOSXUYSZSTOB-OGJWMQTISA-N
XLogP6.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.57
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze ethane;ethylbenzene;1-methyl-4-[(3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)propyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethylbenzene;1-ethyl-4-methylbenzene;propane
CID 160625021
1-ethyl-4-methylcyclodeca-1,3,5,7,9-pentaene
CID 123858491
ethane;ethylbenzene;toluene
CID 159408087
ethane;(6Z)-5-methylidene-6-propylidenecyclohexa-1,3-diene
CID 145022062
ethane;1-ethyl-4-methylbenzene;prop-1-ene
CID 143347591
but-3-enylbenzene;penta-1,4-diene;1,4-xylene
CID 145097362
ethane;ethylbenzene
CID 90887003
ethylbenzene;methane;propane;toluene
CID 159984760
ethane;ethylbenzene;propylbenzene
CID 153343160
ethane;ethylbenzene;propylbenzene
CID 144852867
ethane;1-ethyl-4-methylbenzene;fluoromethane
CID 142146910
bis(1-ethyl-4-methylbenzene);hydrate
CID 175281588

Frequently Asked Questions

What is the IUPAC name of ethane;ethylbenzene;1-methyl-4-[(3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)propyl]benzene?
The IUPAC name of ethane;ethylbenzene;1-methyl-4-[(3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)propyl]benzene (CID 145358352) is ethane;ethylbenzene;1-methyl-4-[(3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)propyl]benzene.
What is the SMILES notation for ethane;ethylbenzene;1-methyl-4-[(3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)propyl]benzene?
The canonical SMILES for ethane;ethylbenzene;1-methyl-4-[(3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)propyl]benzene is C=c1cccc/c1=C/CCc1ccc(C)cc1.CC.CCc1ccccc1.
What is the InChIKey of ethane;ethylbenzene;1-methyl-4-[(3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)propyl]benzene?
The InChIKey is CQSOSXUYSZSTOB-OGJWMQTISA-N. The full InChI is InChI=1S/C17H18.C8H10.C2H6/c1-14-10-12-16(13-11-14)7-5-9-17-8-4-3-6-15(17)2;1-2-8-6-4-3-5-7-8;1-2/h3-4,6,8-13H,2,5,7H2,1H3;3-7H,2H2,1H3;1-2H3/b17-9-;;.
What are the key properties of ethane;ethylbenzene;1-methyl-4-[(3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)propyl]benzene?
ethane;ethylbenzene;1-methyl-4-[(3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)propyl]benzene has a molecular weight of 358.57 g/mol, XLogP of 6.09, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethylbenzene;1-methyl-4-[(3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)propyl]benzene is sourced from PubChem (CID 145358352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).