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

C14H24O — CID 19850583

IUPAC2-(2-ethylhexoxy)cyclohexa-1,3-diene
SMILESCCCCC(CC)COC1=CCCC=C1
InChIInChI=1S/C14H24O/c1-3-5-9-13(4-2)12-15-14-10-7-6-8-11-14/h7,10-11,13H,3-6,8-9,12H2,1-2H3
InChIKeyVSUJFVAWVXTUIX-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.45
Rot. Bonds7

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

2-(2-ethylhexoxy)cyclohexa-1,3-diene (PubChem CID 19850583) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 2-(2-ethylhexoxy)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-(2-ethylhexoxy)cyclohexa-1,3-diene
PubChem CID19850583
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name2-(2-ethylhexoxy)cyclohexa-1,3-diene
SMILESCCCCC(CC)COC1=CCCC=C1
InChIInChI=1S/C14H24O/c1-3-5-9-13(4-2)12-15-14-10-7-6-8-11-14/h7,10-11,13H,3-6,8-9,12H2,1-2H3
InChIKeyVSUJFVAWVXTUIX-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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Related Compounds

1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
1,2,3,4,5-pentakis(2-ethylhexoxy)benzene
CID 90923356
1,2-dibromo-4,5-bis(2-ethylhexoxy)benzene
CID 71351015
[4-(2-ethylhexoxy)phenyl]methanamine
CID 43126950
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
[4-(2-ethylhexoxy)-3,5-dimethylphenyl]methanamine
CID 55191930
4-bromo-2-[5-bromo-2-(2-ethylhexoxy)phenyl]-1-(2-ethylhexoxy)benzene
CID 169014033
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
2-ethylhexoxybenzene;methoxyboronic acid
CID 23293414
2-ethylhexyl 2-cyano-3-cyclohexa-1,5-dien-1-yl-3-phenylprop-2-enoate
CID 91370106
1-(2-ethylhexoxy)-2-iodobenzene
CID 63531465
4-(2-ethylhexoxy)-N-methylaniline
CID 63423828

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexoxy)cyclohexa-1,3-diene?
The IUPAC name of 2-(2-ethylhexoxy)cyclohexa-1,3-diene (CID 19850583) is 2-(2-ethylhexoxy)cyclohexa-1,3-diene.
What is the SMILES notation for 2-(2-ethylhexoxy)cyclohexa-1,3-diene?
The canonical SMILES for 2-(2-ethylhexoxy)cyclohexa-1,3-diene is CCCCC(CC)COC1=CCCC=C1.
What is the InChIKey of 2-(2-ethylhexoxy)cyclohexa-1,3-diene?
The InChIKey is VSUJFVAWVXTUIX-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/h7,10-11,13H,3-6,8-9,12H2,1-2H3.
What are the key properties of 2-(2-ethylhexoxy)cyclohexa-1,3-diene?
2-(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 2-(2-ethylhexoxy)cyclohexa-1,3-diene is sourced from PubChem (CID 19850583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).