1-ethyl-3,4,5-trimethyl-2-(2-methylprop-2-enyl)benzene

C15H22 — CID 144794742

IUPAC1-ethyl-3,4,5-trimethyl-2-(2-methylprop-2-enyl)benzene
SMILESC=C(C)Cc1c(CC)cc(C)c(C)c1C
InChIInChI=1S/C15H22/c1-7-14-9-11(4)12(5)13(6)15(14)8-10(2)3/h9H,2,7-8H2,1,3-6H3
InChIKeyICFSFIFBWZSNNS-UHFFFAOYSA-N
MW202.34 g/mol
LogP4.29
Rot. Bonds3

About 1-ethyl-3,4,5-trimethyl-2-(2-methylprop-2-enyl)benzene

1-ethyl-3,4,5-trimethyl-2-(2-methylprop-2-enyl)benzene (PubChem CID 144794742) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-ethyl-3,4,5-trimethyl-2-(2-methylprop-2-enyl)benzene.

Molecular Properties

Compound Name1-ethyl-3,4,5-trimethyl-2-(2-methylprop-2-enyl)benzene
PubChem CID144794742
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name1-ethyl-3,4,5-trimethyl-2-(2-methylprop-2-enyl)benzene
SMILESC=C(C)Cc1c(CC)cc(C)c(C)c1C
InChIInChI=1S/C15H22/c1-7-14-9-11(4)12(5)13(6)15(14)8-10(2)3/h9H,2,7-8H2,1,3-6H3
InChIKeyICFSFIFBWZSNNS-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.29
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

1,5-diethyl-3-methyl-2-(2-methylprop-2-enyl)benzene
CID 143345045
1-(6-ethyl-2,3,4-trimethylphenyl)ethanone
CID 134554334
1-ethyl-2,4,5-trimethyl-3-nitrosobenzene
CID 143238616
N-[4-hydroxy-2,6-dimethyl-3-(2-methylprop-2-enyl)phenyl]formamide
CID 10798918
2-[(2,6-diethyl-3,4-dimethylphenyl)disulfanyl]-1,3-diethyl-4,5-dimethylbenzene
CID 57310656
2-ethyl-1-methyl-4-[(3S)-5-methylhex-5-en-3-yl]benzene
CID 155697638
3,4-diethyl-6-methylbenzene-1,2-diamine
CID 3018588
1-ethyl-2,5-dimethyl-4-prop-2-enylbenzene
CID 147152105
1-(4,5-diethyl-2-methylphenyl)ethanone
CID 18705096
4-ethyl-5-methylbenzene-1,2-diol
CID 66591490
5-methyl-2-(2-methylprop-2-enyl)-3-propylphenol
CID 19877333
ethane;3-(1-methylsulfanylethenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one;1,2,3,5-tetramethyl-4-(2-methylprop-2-enyl)benzene
CID 144795067

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,4,5-trimethyl-2-(2-methylprop-2-enyl)benzene?
The IUPAC name of 1-ethyl-3,4,5-trimethyl-2-(2-methylprop-2-enyl)benzene (CID 144794742) is 1-ethyl-3,4,5-trimethyl-2-(2-methylprop-2-enyl)benzene.
What is the SMILES notation for 1-ethyl-3,4,5-trimethyl-2-(2-methylprop-2-enyl)benzene?
The canonical SMILES for 1-ethyl-3,4,5-trimethyl-2-(2-methylprop-2-enyl)benzene is C=C(C)Cc1c(CC)cc(C)c(C)c1C.
What is the InChIKey of 1-ethyl-3,4,5-trimethyl-2-(2-methylprop-2-enyl)benzene?
The InChIKey is ICFSFIFBWZSNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22/c1-7-14-9-11(4)12(5)13(6)15(14)8-10(2)3/h9H,2,7-8H2,1,3-6H3.
What are the key properties of 1-ethyl-3,4,5-trimethyl-2-(2-methylprop-2-enyl)benzene?
1-ethyl-3,4,5-trimethyl-2-(2-methylprop-2-enyl)benzene has a molecular weight of 202.34 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,4,5-trimethyl-2-(2-methylprop-2-enyl)benzene is sourced from PubChem (CID 144794742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).