1-(2,3-dimethylbut-3-enyl)-2-ethylbenzene

C14H20 — CID 123267472

IUPAC1-(2,3-dimethylbut-3-enyl)-2-ethylbenzene
SMILESC=C(C)C(C)Cc1ccccc1CC
InChIInChI=1S/C14H20/c1-5-13-8-6-7-9-14(13)10-12(4)11(2)3/h6-9,12H,2,5,10H2,1,3-4H3
InChIKeyNVABTLSEHAJDAN-UHFFFAOYSA-N
MW188.31 g/mol
LogP4.00
Rot. Bonds4

About 1-(2,3-dimethylbut-3-enyl)-2-ethylbenzene

1-(2,3-dimethylbut-3-enyl)-2-ethylbenzene (PubChem CID 123267472) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-(2,3-dimethylbut-3-enyl)-2-ethylbenzene.

Molecular Properties

Compound Name1-(2,3-dimethylbut-3-enyl)-2-ethylbenzene
PubChem CID123267472
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name1-(2,3-dimethylbut-3-enyl)-2-ethylbenzene
SMILESC=C(C)C(C)Cc1ccccc1CC
InChIInChI=1S/C14H20/c1-5-13-8-6-7-9-14(13)10-12(4)11(2)3/h6-9,12H,2,5,10H2,1,3-4H3
InChIKeyNVABTLSEHAJDAN-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.00
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

3-(2-ethylphenyl)-2-methylpropan-1-ol
CID 23398441
1-ethyl-2-(2-methylbutyl)benzene
CID 91267290
1-ethyl-2-(2-methylbut-3-enyl)benzene
CID 18956737
(3S)-3-amino-4-(2-ethylphenyl)butan-2-one
CID 177035778
1,2-diethylbenzene;hydrobromide
CID 174973685
1-(2-ethylphenyl)-3-methylbutan-2-one
CID 20612116
1,2-diethylbenzene;2-methylidenepropanedioic acid
CID 174498870
carbonic acid;1,2-diethylbenzene
CID 89388803
1,2-diethylbenzene;propa-1,2-diene
CID 174831347
1,2-diethylbenzene;silyloxysilane
CID 158803052
2,3-bis[1-(2-ethylphenyl)propan-2-yl]phenol
CID 67182449
1-(2,3-dimethylbut-3-enyl)-4-methylbenzene;ethane;1-ethyl-4-methylbenzene;2-methylprop-1-ene
CID 177337265

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylbut-3-enyl)-2-ethylbenzene?
The IUPAC name of 1-(2,3-dimethylbut-3-enyl)-2-ethylbenzene (CID 123267472) is 1-(2,3-dimethylbut-3-enyl)-2-ethylbenzene.
What is the SMILES notation for 1-(2,3-dimethylbut-3-enyl)-2-ethylbenzene?
The canonical SMILES for 1-(2,3-dimethylbut-3-enyl)-2-ethylbenzene is C=C(C)C(C)Cc1ccccc1CC.
What is the InChIKey of 1-(2,3-dimethylbut-3-enyl)-2-ethylbenzene?
The InChIKey is NVABTLSEHAJDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-5-13-8-6-7-9-14(13)10-12(4)11(2)3/h6-9,12H,2,5,10H2,1,3-4H3.
What are the key properties of 1-(2,3-dimethylbut-3-enyl)-2-ethylbenzene?
1-(2,3-dimethylbut-3-enyl)-2-ethylbenzene has a molecular weight of 188.31 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylbut-3-enyl)-2-ethylbenzene is sourced from PubChem (CID 123267472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).