1-(2-ethylhexoxy)cyclohexa-1,3-diene

C14H24O — CID 118370461

IUPAC1-(2-ethylhexoxy)cyclohexa-1,3-diene
SMILESCCCCC(CC)COC1=CC=CCC1
InChIInChI=1S/C14H24O/c1-3-5-9-13(4-2)12-15-14-10-7-6-8-11-14/h6-7,10,13H,3-5,8-9,11-12H2,1-2H3
InChIKeyIXLNBXKVEHGIJN-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.45
Rot. Bonds7

About 1-(2-ethylhexoxy)cyclohexa-1,3-diene

1-(2-ethylhexoxy)cyclohexa-1,3-diene (PubChem CID 118370461) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 1-(2-ethylhexoxy)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-(2-ethylhexoxy)cyclohexa-1,3-diene
PubChem CID118370461
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name1-(2-ethylhexoxy)cyclohexa-1,3-diene
SMILESCCCCC(CC)COC1=CC=CCC1
InChIInChI=1S/C14H24O/c1-3-5-9-13(4-2)12-15-14-10-7-6-8-11-14/h6-7,10,13H,3-5,8-9,11-12H2,1-2H3
InChIKeyIXLNBXKVEHGIJN-UHFFFAOYSA-N
XLogP4.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexoxy)cyclohexa-1,3-diene?
The IUPAC name of 1-(2-ethylhexoxy)cyclohexa-1,3-diene (CID 118370461) is 1-(2-ethylhexoxy)cyclohexa-1,3-diene.
What is the SMILES notation for 1-(2-ethylhexoxy)cyclohexa-1,3-diene?
The canonical SMILES for 1-(2-ethylhexoxy)cyclohexa-1,3-diene is CCCCC(CC)COC1=CC=CCC1.
What is the InChIKey of 1-(2-ethylhexoxy)cyclohexa-1,3-diene?
The InChIKey is IXLNBXKVEHGIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-3-5-9-13(4-2)12-15-14-10-7-6-8-11-14/h6-7,10,13H,3-5,8-9,11-12H2,1-2H3.
What are the key properties of 1-(2-ethylhexoxy)cyclohexa-1,3-diene?
1-(2-ethylhexoxy)cyclohexa-1,3-diene has a molecular weight of 208.34 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexoxy)cyclohexa-1,3-diene is sourced from PubChem (CID 118370461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).