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

C9H14 — CID 91479514

IUPAC3-ethyl-1-methylcyclohexa-1,3-diene
SMILESCCC1=CCCC(C)=C1
InChIInChI=1S/C9H14/c1-3-9-6-4-5-8(2)7-9/h6-7H,3-5H2,1-2H3
InChIKeyNKSYQYIPCBVPMI-UHFFFAOYSA-N
MW122.21 g/mol
LogP3.06
Rot. Bonds1

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

3-ethyl-1-methylcyclohexa-1,3-diene (PubChem CID 91479514) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 3-ethyl-1-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name3-ethyl-1-methylcyclohexa-1,3-diene
PubChem CID91479514
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name3-ethyl-1-methylcyclohexa-1,3-diene
SMILESCCC1=CCCC(C)=C1
InChIInChI=1S/C9H14/c1-3-9-6-4-5-8(2)7-9/h6-7H,3-5H2,1-2H3
InChIKeyNKSYQYIPCBVPMI-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

dichlorotitanium;3-ethyl-1-methylcyclopenta-1,3-diene
CID 174490821
(1E,3Z)-1-methyl-3-propylcycloocta-1,3,5-triene
CID 144585615
(1E,5E)-1,5,9-trimethylcyclododeca-1,5,9-triene
CID 139597866
2-(3-ethylcyclohexa-1,3-dien-1-yl)pyrimidine
CID 89105510
ethane;5-methylcyclohexa-1,5-dien-1-amine
CID 144692983
5-methylcyclohexa-1,5-diene-1-carboxylic acid
CID 14219118
ethane;3-fluoro-1-methylcyclohexa-1,3-diene
CID 144598222
ethane;1-methylcyclobutene
CID 91484029
1-methylcyclobutene;sulfane
CID 90109296
ethane;3-[(2Z)-2-ethenyl-5-methylhexa-2,4-dienyl]-1-methylcyclohexa-1,3-diene
CID 143985958
1-ethyl-3-methylcyclohexa-1,3-diene
CID 18512584
1,3-diethylcyclobuta-1,3-diene
CID 21364081

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methylcyclohexa-1,3-diene?
The IUPAC name of 3-ethyl-1-methylcyclohexa-1,3-diene (CID 91479514) is 3-ethyl-1-methylcyclohexa-1,3-diene.
What is the SMILES notation for 3-ethyl-1-methylcyclohexa-1,3-diene?
The canonical SMILES for 3-ethyl-1-methylcyclohexa-1,3-diene is CCC1=CCCC(C)=C1.
What is the InChIKey of 3-ethyl-1-methylcyclohexa-1,3-diene?
The InChIKey is NKSYQYIPCBVPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-3-9-6-4-5-8(2)7-9/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-ethyl-1-methylcyclohexa-1,3-diene?
3-ethyl-1-methylcyclohexa-1,3-diene has a molecular weight of 122.21 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methylcyclohexa-1,3-diene is sourced from PubChem (CID 91479514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).