cyclohexa-1,3-diene;1-ethyl-1-methylcyclopentane

C14H24 — CID 173121193

IUPACcyclohexa-1,3-diene;1-ethyl-1-methylcyclopentane
SMILESC1=CCCC=C1.CCC1(C)CCCC1
InChIInChI=1S/C8H16.C6H8/c1-3-8(2)6-4-5-7-8;1-2-4-6-5-3-1/h3-7H2,1-2H3;1-4H,5-6H2
InChIKeyIPKXZYUYFHHPCU-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.87
Rot. Bonds1

About cyclohexa-1,3-diene;1-ethyl-1-methylcyclopentane

cyclohexa-1,3-diene;1-ethyl-1-methylcyclopentane (PubChem CID 173121193) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is cyclohexa-1,3-diene;1-ethyl-1-methylcyclopentane.

Molecular Properties

Compound Namecyclohexa-1,3-diene;1-ethyl-1-methylcyclopentane
PubChem CID173121193
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Namecyclohexa-1,3-diene;1-ethyl-1-methylcyclopentane
SMILESC1=CCCC=C1.CCC1(C)CCCC1
InChIInChI=1S/C8H16.C6H8/c1-3-8(2)6-4-5-7-8;1-2-4-6-5-3-1/h3-7H2,1-2H3;1-4H,5-6H2
InChIKeyIPKXZYUYFHHPCU-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,3-diene;1-ethyl-1-methylcyclopentane?
The IUPAC name of cyclohexa-1,3-diene;1-ethyl-1-methylcyclopentane (CID 173121193) is cyclohexa-1,3-diene;1-ethyl-1-methylcyclopentane.
What is the SMILES notation for cyclohexa-1,3-diene;1-ethyl-1-methylcyclopentane?
The canonical SMILES for cyclohexa-1,3-diene;1-ethyl-1-methylcyclopentane is C1=CCCC=C1.CCC1(C)CCCC1.
What is the InChIKey of cyclohexa-1,3-diene;1-ethyl-1-methylcyclopentane?
The InChIKey is IPKXZYUYFHHPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.C6H8/c1-3-8(2)6-4-5-7-8;1-2-4-6-5-3-1/h3-7H2,1-2H3;1-4H,5-6H2.
What are the key properties of cyclohexa-1,3-diene;1-ethyl-1-methylcyclopentane?
cyclohexa-1,3-diene;1-ethyl-1-methylcyclopentane has a molecular weight of 192.35 g/mol, XLogP of 4.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,3-diene;1-ethyl-1-methylcyclopentane is sourced from PubChem (CID 173121193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).