ethane;3-ethyl-2,5-dimethylcyclohexa-1,3-diene

C14H28 — CID 142036504

IUPACethane;3-ethyl-2,5-dimethylcyclohexa-1,3-diene
SMILESCC.CC.CCC1=CC(C)CC=C1C
InChIInChI=1S/C10H16.2C2H6/c1-4-10-7-8(2)5-6-9(10)3;2*1-2/h6-8H,4-5H2,1-3H3;2*1-2H3
InChIKeyVWVOJUYHBJRWSZ-UHFFFAOYSA-N
MW196.38 g/mol
LogP5.36
Rot. Bonds1

About ethane;3-ethyl-2,5-dimethylcyclohexa-1,3-diene

ethane;3-ethyl-2,5-dimethylcyclohexa-1,3-diene (PubChem CID 142036504) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is ethane;3-ethyl-2,5-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Nameethane;3-ethyl-2,5-dimethylcyclohexa-1,3-diene
PubChem CID142036504
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Nameethane;3-ethyl-2,5-dimethylcyclohexa-1,3-diene
SMILESCC.CC.CCC1=CC(C)CC=C1C
InChIInChI=1S/C10H16.2C2H6/c1-4-10-7-8(2)5-6-9(10)3;2*1-2/h6-8H,4-5H2,1-3H3;2*1-2H3
InChIKeyVWVOJUYHBJRWSZ-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,5-diethyl-2-methylcyclohexa-1,3-diene
CID 142581165
2,3,5,7-tetramethylcycloocta-1,3,5-triene
CID 123369024
[(3,6-dimethylcyclohexa-1,5-dien-1-yl)methylamino]-[(2-methylpropan-2-yl)oxy]methanol
CID 163745243
3,6-dimethylcyclohexa-1,5-diene-1-carboxylic acid
CID 123404809
cis-(1R,2S)-1,2-diethyl-1,2-dimethyl-4-propylcyclopentane;ethane;3-ethyl-2,5-dimethylcyclohexa-1,3-diene;(Z)-3-(ethylideneamino)pent-3-en-2-one;2-methylheptane
CID 143682387
2-ethyl-4-methylcyclohepta-2,6-dien-1-imine
CID 123572930
2,3-diethyl-5-methylcyclopenta-1,3-diene
CID 152862708
7-ethyl-5-methyl-4,5-dihydro-1,3-benzodioxole
CID 167096526
2-(3-ethylhex-5-enyl)-3,5-dimethylcyclohexa-1,3-diene
CID 146761415
ethane;propane;2,3,5,6-tetramethylcyclohexa-1,3-diene
CID 144517632
4-(6-butyl-3-methylcyclohexa-1,5-dien-1-yl)butan-2-ol
CID 70837510
2-[(1Z)-buta-1,3-dienyl]-3,5-dimethylcyclohexa-1,3-diene
CID 143422229

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-2,5-dimethylcyclohexa-1,3-diene?
The IUPAC name of ethane;3-ethyl-2,5-dimethylcyclohexa-1,3-diene (CID 142036504) is ethane;3-ethyl-2,5-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for ethane;3-ethyl-2,5-dimethylcyclohexa-1,3-diene?
The canonical SMILES for ethane;3-ethyl-2,5-dimethylcyclohexa-1,3-diene is CC.CC.CCC1=CC(C)CC=C1C.
What is the InChIKey of ethane;3-ethyl-2,5-dimethylcyclohexa-1,3-diene?
The InChIKey is VWVOJUYHBJRWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.2C2H6/c1-4-10-7-8(2)5-6-9(10)3;2*1-2/h6-8H,4-5H2,1-3H3;2*1-2H3.
What are the key properties of ethane;3-ethyl-2,5-dimethylcyclohexa-1,3-diene?
ethane;3-ethyl-2,5-dimethylcyclohexa-1,3-diene has a molecular weight of 196.38 g/mol, XLogP of 5.36, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-2,5-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 142036504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).