5-ethyl-2-propan-2-yloxycyclohexa-1,3-diene

C11H18O — CID 57019210

IUPAC5-ethyl-2-propan-2-yloxycyclohexa-1,3-diene
SMILESCCC1C=CC(OC(C)C)=CC1
InChIInChI=1S/C11H18O/c1-4-10-5-7-11(8-6-10)12-9(2)3/h5,7-10H,4,6H2,1-3H3
InChIKeyHIWCIYDRPIALMZ-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.28
Rot. Bonds3

About 5-ethyl-2-propan-2-yloxycyclohexa-1,3-diene

5-ethyl-2-propan-2-yloxycyclohexa-1,3-diene (PubChem CID 57019210) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 5-ethyl-2-propan-2-yloxycyclohexa-1,3-diene.

Molecular Properties

Compound Name5-ethyl-2-propan-2-yloxycyclohexa-1,3-diene
PubChem CID57019210
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name5-ethyl-2-propan-2-yloxycyclohexa-1,3-diene
SMILESCCC1C=CC(OC(C)C)=CC1
InChIInChI=1S/C11H18O/c1-4-10-5-7-11(8-6-10)12-9(2)3/h5,7-10H,4,6H2,1-3H3
InChIKeyHIWCIYDRPIALMZ-UHFFFAOYSA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-propan-2-yloxycyclohexa-1,3-diene?
The IUPAC name of 5-ethyl-2-propan-2-yloxycyclohexa-1,3-diene (CID 57019210) is 5-ethyl-2-propan-2-yloxycyclohexa-1,3-diene.
What is the SMILES notation for 5-ethyl-2-propan-2-yloxycyclohexa-1,3-diene?
The canonical SMILES for 5-ethyl-2-propan-2-yloxycyclohexa-1,3-diene is CCC1C=CC(OC(C)C)=CC1.
What is the InChIKey of 5-ethyl-2-propan-2-yloxycyclohexa-1,3-diene?
The InChIKey is HIWCIYDRPIALMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-4-10-5-7-11(8-6-10)12-9(2)3/h5,7-10H,4,6H2,1-3H3.
What are the key properties of 5-ethyl-2-propan-2-yloxycyclohexa-1,3-diene?
5-ethyl-2-propan-2-yloxycyclohexa-1,3-diene has a molecular weight of 166.26 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-propan-2-yloxycyclohexa-1,3-diene is sourced from PubChem (CID 57019210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).