1-ethyl-6-methylcyclohexa-1,3-diene

C9H14 — CID 91435039

IUPAC1-ethyl-6-methylcyclohexa-1,3-diene
SMILESCCC1=CC=CCC1C
InChIInChI=1S/C9H14/c1-3-9-7-5-4-6-8(9)2/h4-5,7-8H,3,6H2,1-2H3
InChIKeyHSOHQUZUQNNEGJ-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.92
Rot. Bonds1

About 1-ethyl-6-methylcyclohexa-1,3-diene

1-ethyl-6-methylcyclohexa-1,3-diene (PubChem CID 91435039) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 1-ethyl-6-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-ethyl-6-methylcyclohexa-1,3-diene
PubChem CID91435039
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name1-ethyl-6-methylcyclohexa-1,3-diene
SMILESCCC1=CC=CCC1C
InChIInChI=1S/C9H14/c1-3-9-7-5-4-6-8(9)2/h4-5,7-8H,3,6H2,1-2H3
InChIKeyHSOHQUZUQNNEGJ-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-methyl-1-propylcyclohexa-1,3-diene
CID 123906774
2-(6-methylcyclohexa-1,3-dien-1-yl)ethanol
CID 155053244
2-ethylcyclohexa-2,4-dien-1-amine
CID 123185856
1-(6-methylcyclohexa-1,3-dien-1-yl)propan-2-amine
CID 143285714
1-ethyl-6-propylcyclohexa-1,3-diene
CID 91233524
2-amino-3-(6-methylcyclohexa-1,3-dien-1-yl)propanoic acid
CID 149153499
(6R)-1-butan-2-yl-6-methylcyclohexa-1,3-diene
CID 142008819
6-methyl-1-propan-2-ylcyclohexa-1,3-diene
CID 22481425
3-ethyl-2-methyl-1-[2-methyl-3-(6-methylcyclohexa-1,3-dien-1-yl)propyl]-4-propylbenzene
CID 155697541
(2S,3S)-3-amino-1-[amino(methyl)amino]-4-(6-methylcyclohexa-1,3-dien-1-yl)butan-2-ol
CID 144524923
chloro-(6-methylcyclohexa-1,3-dien-1-yl)mercury
CID 15826882
5-ethyl-4-methylcyclohexa-1,5-dien-1-amine
CID 163507973

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methylcyclohexa-1,3-diene?
The IUPAC name of 1-ethyl-6-methylcyclohexa-1,3-diene (CID 91435039) is 1-ethyl-6-methylcyclohexa-1,3-diene.
What is the SMILES notation for 1-ethyl-6-methylcyclohexa-1,3-diene?
The canonical SMILES for 1-ethyl-6-methylcyclohexa-1,3-diene is CCC1=CC=CCC1C.
What is the InChIKey of 1-ethyl-6-methylcyclohexa-1,3-diene?
The InChIKey is HSOHQUZUQNNEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-3-9-7-5-4-6-8(9)2/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of 1-ethyl-6-methylcyclohexa-1,3-diene?
1-ethyl-6-methylcyclohexa-1,3-diene has a molecular weight of 122.21 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methylcyclohexa-1,3-diene is sourced from PubChem (CID 91435039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).