1-(2-ethylhexoxy)-4-methylcyclohexa-1,3-diene

C15H26O — CID 70942683

IUPAC1-(2-ethylhexoxy)-4-methylcyclohexa-1,3-diene
SMILESCCCCC(CC)COC1=CC=C(C)CC1
InChIInChI=1S/C15H26O/c1-4-6-7-14(5-2)12-16-15-10-8-13(3)9-11-15/h8,10,14H,4-7,9,11-12H2,1-3H3
InChIKeyKGYUZIWJQYBMAY-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.84
Rot. Bonds7

About 1-(2-ethylhexoxy)-4-methylcyclohexa-1,3-diene

1-(2-ethylhexoxy)-4-methylcyclohexa-1,3-diene (PubChem CID 70942683) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 1-(2-ethylhexoxy)-4-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-(2-ethylhexoxy)-4-methylcyclohexa-1,3-diene
PubChem CID70942683
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name1-(2-ethylhexoxy)-4-methylcyclohexa-1,3-diene
SMILESCCCCC(CC)COC1=CC=C(C)CC1
InChIInChI=1S/C15H26O/c1-4-6-7-14(5-2)12-16-15-10-8-13(3)9-11-15/h8,10,14H,4-7,9,11-12H2,1-3H3
InChIKeyKGYUZIWJQYBMAY-UHFFFAOYSA-N
XLogP4.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexoxy)-4-methylcyclohexa-1,3-diene?
The IUPAC name of 1-(2-ethylhexoxy)-4-methylcyclohexa-1,3-diene (CID 70942683) is 1-(2-ethylhexoxy)-4-methylcyclohexa-1,3-diene.
What is the SMILES notation for 1-(2-ethylhexoxy)-4-methylcyclohexa-1,3-diene?
The canonical SMILES for 1-(2-ethylhexoxy)-4-methylcyclohexa-1,3-diene is CCCCC(CC)COC1=CC=C(C)CC1.
What is the InChIKey of 1-(2-ethylhexoxy)-4-methylcyclohexa-1,3-diene?
The InChIKey is KGYUZIWJQYBMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-4-6-7-14(5-2)12-16-15-10-8-13(3)9-11-15/h8,10,14H,4-7,9,11-12H2,1-3H3.
What are the key properties of 1-(2-ethylhexoxy)-4-methylcyclohexa-1,3-diene?
1-(2-ethylhexoxy)-4-methylcyclohexa-1,3-diene has a molecular weight of 222.37 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexoxy)-4-methylcyclohexa-1,3-diene is sourced from PubChem (CID 70942683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).