6-ethyl-5-(4-ethylcyclohexa-1,5-dien-1-yl)-2-methylcyclohexa-1,3-diene

C17H24 — CID 123833108

IUPAC6-ethyl-5-(4-ethylcyclohexa-1,5-dien-1-yl)-2-methylcyclohexa-1,3-diene
SMILESCCC1C=CC(C2C=CC(C)=CC2CC)=CC1
InChIInChI=1S/C17H24/c1-4-14-7-9-16(10-8-14)17-11-6-13(3)12-15(17)5-2/h6-7,9-12,14-15,17H,4-5,8H2,1-3H3
InChIKeyJSTPUCPNGRDPFA-UHFFFAOYSA-N
MW228.38 g/mol
LogP5.06
Rot. Bonds3

About 6-ethyl-5-(4-ethylcyclohexa-1,5-dien-1-yl)-2-methylcyclohexa-1,3-diene

6-ethyl-5-(4-ethylcyclohexa-1,5-dien-1-yl)-2-methylcyclohexa-1,3-diene (PubChem CID 123833108) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is 6-ethyl-5-(4-ethylcyclohexa-1,5-dien-1-yl)-2-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name6-ethyl-5-(4-ethylcyclohexa-1,5-dien-1-yl)-2-methylcyclohexa-1,3-diene
PubChem CID123833108
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Name6-ethyl-5-(4-ethylcyclohexa-1,5-dien-1-yl)-2-methylcyclohexa-1,3-diene
SMILESCCC1C=CC(C2C=CC(C)=CC2CC)=CC1
InChIInChI=1S/C17H24/c1-4-14-7-9-16(10-8-14)17-11-6-13(3)12-15(17)5-2/h6-7,9-12,14-15,17H,4-5,8H2,1-3H3
InChIKeyJSTPUCPNGRDPFA-UHFFFAOYSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.38
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-(4-ethylcyclohexa-1,5-dien-1-yl)-2-methylcyclohexa-1,3-diene?
The IUPAC name of 6-ethyl-5-(4-ethylcyclohexa-1,5-dien-1-yl)-2-methylcyclohexa-1,3-diene (CID 123833108) is 6-ethyl-5-(4-ethylcyclohexa-1,5-dien-1-yl)-2-methylcyclohexa-1,3-diene.
What is the SMILES notation for 6-ethyl-5-(4-ethylcyclohexa-1,5-dien-1-yl)-2-methylcyclohexa-1,3-diene?
The canonical SMILES for 6-ethyl-5-(4-ethylcyclohexa-1,5-dien-1-yl)-2-methylcyclohexa-1,3-diene is CCC1C=CC(C2C=CC(C)=CC2CC)=CC1.
What is the InChIKey of 6-ethyl-5-(4-ethylcyclohexa-1,5-dien-1-yl)-2-methylcyclohexa-1,3-diene?
The InChIKey is JSTPUCPNGRDPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24/c1-4-14-7-9-16(10-8-14)17-11-6-13(3)12-15(17)5-2/h6-7,9-12,14-15,17H,4-5,8H2,1-3H3.
What are the key properties of 6-ethyl-5-(4-ethylcyclohexa-1,5-dien-1-yl)-2-methylcyclohexa-1,3-diene?
6-ethyl-5-(4-ethylcyclohexa-1,5-dien-1-yl)-2-methylcyclohexa-1,3-diene has a molecular weight of 228.38 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-(4-ethylcyclohexa-1,5-dien-1-yl)-2-methylcyclohexa-1,3-diene is sourced from PubChem (CID 123833108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).