ethane;1-ethyl-4-methylbenzene;prop-1-ene

C14H24 — CID 143347591

IUPACethane;1-ethyl-4-methylbenzene;prop-1-ene
SMILESC=CC.CC.CCc1ccc(C)cc1
InChIInChI=1S/C9H12.C3H6.C2H6/c1-3-9-6-4-8(2)5-7-9;1-3-2;1-2/h4-7H,3H2,1-2H3;3H,1H2,2H3;1-2H3
InChIKeySWWNQFUGKPSFMS-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.78
Rot. Bonds1

About ethane;1-ethyl-4-methylbenzene;prop-1-ene

ethane;1-ethyl-4-methylbenzene;prop-1-ene (PubChem CID 143347591) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is ethane;1-ethyl-4-methylbenzene;prop-1-ene.

Molecular Properties

Compound Nameethane;1-ethyl-4-methylbenzene;prop-1-ene
PubChem CID143347591
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Nameethane;1-ethyl-4-methylbenzene;prop-1-ene
SMILESC=CC.CC.CCc1ccc(C)cc1
InChIInChI=1S/C9H12.C3H6.C2H6/c1-3-9-6-4-8(2)5-7-9;1-3-2;1-2/h4-7H,3H2,1-2H3;3H,1H2,2H3;1-2H3
InChIKeySWWNQFUGKPSFMS-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethane;1-ethyl-4-methylbenzene;fluoromethane
CID 142146910
bis(1-ethyl-4-methylbenzene);hydrate
CID 175281588
1-ethyl-4-methylbenzene;propane
CID 144580802
1-[(4-ethylphenyl)methyl]-4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]benzene
CID 23525828
1-tert-butyl-4-ethylbenzene;prop-1-ene;toluene
CID 171509592
buta-1,3-diene;ethane;prop-1-ene;1,4-xylene
CID 142250426
1,4-diethylbenzene;ethane
CID 91207141
1-ethyl-4-methylbenzene;1,2,3,4,5-pentamethylcyclopentane
CID 91344204
1-ethyl-4-methylbenzene;hydroxy(methyl)silane
CID 160772634
ethylbenzene;1-ethyl-4-methylbenzene;propane
CID 160625021
1-ethyl-4-methylcyclodeca-1,3,5,7,9-pentaene
CID 123858491
1,4-diethylbenzene;ethane;methane
CID 166131756

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-4-methylbenzene;prop-1-ene?
The IUPAC name of ethane;1-ethyl-4-methylbenzene;prop-1-ene (CID 143347591) is ethane;1-ethyl-4-methylbenzene;prop-1-ene.
What is the SMILES notation for ethane;1-ethyl-4-methylbenzene;prop-1-ene?
The canonical SMILES for ethane;1-ethyl-4-methylbenzene;prop-1-ene is C=CC.CC.CCc1ccc(C)cc1.
What is the InChIKey of ethane;1-ethyl-4-methylbenzene;prop-1-ene?
The InChIKey is SWWNQFUGKPSFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C3H6.C2H6/c1-3-9-6-4-8(2)5-7-9;1-3-2;1-2/h4-7H,3H2,1-2H3;3H,1H2,2H3;1-2H3.
What are the key properties of ethane;1-ethyl-4-methylbenzene;prop-1-ene?
ethane;1-ethyl-4-methylbenzene;prop-1-ene has a molecular weight of 192.35 g/mol, XLogP of 4.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-4-methylbenzene;prop-1-ene is sourced from PubChem (CID 143347591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).