3,5-diethyl-2-methylcyclohexa-1,3-diene

C11H18 — CID 142581165

IUPAC3,5-diethyl-2-methylcyclohexa-1,3-diene
SMILESCCC1=CC(CC)CC=C1C
InChIInChI=1S/C11H18/c1-4-10-7-6-9(3)11(5-2)8-10/h6,8,10H,4-5,7H2,1-3H3
InChIKeyMICHAGMJIFRCIP-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.70
Rot. Bonds2

About 3,5-diethyl-2-methylcyclohexa-1,3-diene

3,5-diethyl-2-methylcyclohexa-1,3-diene (PubChem CID 142581165) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 3,5-diethyl-2-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name3,5-diethyl-2-methylcyclohexa-1,3-diene
PubChem CID142581165
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name3,5-diethyl-2-methylcyclohexa-1,3-diene
SMILESCCC1=CC(CC)CC=C1C
InChIInChI=1S/C11H18/c1-4-10-7-6-9(3)11(5-2)8-10/h6,8,10H,4-5,7H2,1-3H3
InChIKeyMICHAGMJIFRCIP-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;3-ethyl-2,5-dimethylcyclohexa-1,3-diene
CID 142036504
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CID 163966940
3-fluoro-2-methyl-5-propylcyclohexa-1,3-diene
CID 89277390
[(1R)-4-ethyl-3-fluorocyclohexa-2,4-dien-1-yl]methanol
CID 89419033
3-ethyl-2,3-dihydrophenanthrene
CID 174946736
3-ethyl-4-propan-2-ylbicyclo[4.1.0]hepta-2,4-diene
CID 157035643
2,4-diethylcyclohex-2-en-1-ol
CID 101312121
3-ethoxy-2-methyl-5-prop-2-enylcyclohexa-1,3-diene
CID 121419445
(3S)-3-ethyl-5-methyl-2,3-dihydrofuran
CID 163483277
6-ethyl-5-(4-ethylcyclohexa-1,5-dien-1-yl)-2-methylcyclohexa-1,3-diene
CID 123833108
2,3-diethyl-5-methylcyclopenta-1,3-diene
CID 152862708
5,6-diethyl-2,3-dimethylcyclohexa-1,3-diene
CID 142845653

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-2-methylcyclohexa-1,3-diene?
The IUPAC name of 3,5-diethyl-2-methylcyclohexa-1,3-diene (CID 142581165) is 3,5-diethyl-2-methylcyclohexa-1,3-diene.
What is the SMILES notation for 3,5-diethyl-2-methylcyclohexa-1,3-diene?
The canonical SMILES for 3,5-diethyl-2-methylcyclohexa-1,3-diene is CCC1=CC(CC)CC=C1C.
What is the InChIKey of 3,5-diethyl-2-methylcyclohexa-1,3-diene?
The InChIKey is MICHAGMJIFRCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-4-10-7-6-9(3)11(5-2)8-10/h6,8,10H,4-5,7H2,1-3H3.
What are the key properties of 3,5-diethyl-2-methylcyclohexa-1,3-diene?
3,5-diethyl-2-methylcyclohexa-1,3-diene has a molecular weight of 150.26 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-2-methylcyclohexa-1,3-diene is sourced from PubChem (CID 142581165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).