6-ethyl-1-methoxycyclohexa-1,3-diene

C9H14O — CID 59679188

IUPAC6-ethyl-1-methoxycyclohexa-1,3-diene
SMILESCCC1CC=CC=C1OC
InChIInChI=1S/C9H14O/c1-3-8-6-4-5-7-9(8)10-2/h4-5,7-8H,3,6H2,1-2H3
InChIKeyXXSPXZRINKKYPC-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.50
Rot. Bonds2

About 6-ethyl-1-methoxycyclohexa-1,3-diene

6-ethyl-1-methoxycyclohexa-1,3-diene (PubChem CID 59679188) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 6-ethyl-1-methoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name6-ethyl-1-methoxycyclohexa-1,3-diene
PubChem CID59679188
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name6-ethyl-1-methoxycyclohexa-1,3-diene
SMILESCCC1CC=CC=C1OC
InChIInChI=1S/C9H14O/c1-3-8-6-4-5-7-9(8)10-2/h4-5,7-8H,3,6H2,1-2H3
InChIKeyXXSPXZRINKKYPC-UHFFFAOYSA-N
XLogP2.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-methoxycyclohexa-1,3-diene?
The IUPAC name of 6-ethyl-1-methoxycyclohexa-1,3-diene (CID 59679188) is 6-ethyl-1-methoxycyclohexa-1,3-diene.
What is the SMILES notation for 6-ethyl-1-methoxycyclohexa-1,3-diene?
The canonical SMILES for 6-ethyl-1-methoxycyclohexa-1,3-diene is CCC1CC=CC=C1OC.
What is the InChIKey of 6-ethyl-1-methoxycyclohexa-1,3-diene?
The InChIKey is XXSPXZRINKKYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-3-8-6-4-5-7-9(8)10-2/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of 6-ethyl-1-methoxycyclohexa-1,3-diene?
6-ethyl-1-methoxycyclohexa-1,3-diene has a molecular weight of 138.21 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-methoxycyclohexa-1,3-diene is sourced from PubChem (CID 59679188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).