1-(cyclohexa-2,4-dien-1-ylmethoxy)-4-ethylcyclohepta-1,3,5-triene

C16H20O — CID 91090636

IUPAC1-(cyclohexa-2,4-dien-1-ylmethoxy)-4-ethylcyclohepta-1,3,5-triene
SMILESCCC1=CC=C(OCC2C=CC=CC2)CC=C1
InChIInChI=1S/C16H20O/c1-2-14-9-6-10-16(12-11-14)17-13-15-7-4-3-5-8-15/h3-7,9,11-12,15H,2,8,10,13H2,1H3
InChIKeyJLVKOUIJTRYILH-UHFFFAOYSA-N
MW228.33 g/mol
LogP4.32
Rot. Bonds4

About 1-(cyclohexa-2,4-dien-1-ylmethoxy)-4-ethylcyclohepta-1,3,5-triene

1-(cyclohexa-2,4-dien-1-ylmethoxy)-4-ethylcyclohepta-1,3,5-triene (PubChem CID 91090636) has the molecular formula C16H20O and a molecular weight of 228.33 g/mol. Its IUPAC name is 1-(cyclohexa-2,4-dien-1-ylmethoxy)-4-ethylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name1-(cyclohexa-2,4-dien-1-ylmethoxy)-4-ethylcyclohepta-1,3,5-triene
PubChem CID91090636
Molecular FormulaC16H20O
Molecular Weight228.33 g/mol
Exact Mass228.15
IUPAC Name1-(cyclohexa-2,4-dien-1-ylmethoxy)-4-ethylcyclohepta-1,3,5-triene
SMILESCCC1=CC=C(OCC2C=CC=CC2)CC=C1
InChIInChI=1S/C16H20O/c1-2-14-9-6-10-16(12-11-14)17-13-15-7-4-3-5-8-15/h3-7,9,11-12,15H,2,8,10,13H2,1H3
InChIKeyJLVKOUIJTRYILH-UHFFFAOYSA-N
XLogP4.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexa-2,4-dien-1-ylmethoxy)-4-ethylcyclohepta-1,3,5-triene?
The IUPAC name of 1-(cyclohexa-2,4-dien-1-ylmethoxy)-4-ethylcyclohepta-1,3,5-triene (CID 91090636) is 1-(cyclohexa-2,4-dien-1-ylmethoxy)-4-ethylcyclohepta-1,3,5-triene.
What is the SMILES notation for 1-(cyclohexa-2,4-dien-1-ylmethoxy)-4-ethylcyclohepta-1,3,5-triene?
The canonical SMILES for 1-(cyclohexa-2,4-dien-1-ylmethoxy)-4-ethylcyclohepta-1,3,5-triene is CCC1=CC=C(OCC2C=CC=CC2)CC=C1.
What is the InChIKey of 1-(cyclohexa-2,4-dien-1-ylmethoxy)-4-ethylcyclohepta-1,3,5-triene?
The InChIKey is JLVKOUIJTRYILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O/c1-2-14-9-6-10-16(12-11-14)17-13-15-7-4-3-5-8-15/h3-7,9,11-12,15H,2,8,10,13H2,1H3.
What are the key properties of 1-(cyclohexa-2,4-dien-1-ylmethoxy)-4-ethylcyclohepta-1,3,5-triene?
1-(cyclohexa-2,4-dien-1-ylmethoxy)-4-ethylcyclohepta-1,3,5-triene has a molecular weight of 228.33 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexa-2,4-dien-1-ylmethoxy)-4-ethylcyclohepta-1,3,5-triene is sourced from PubChem (CID 91090636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).