ethane;3-ethoxycyclohepta-1,3,5-triene

C11H18O — CID 142833212

IUPACethane;3-ethoxycyclohepta-1,3,5-triene
SMILESCC.CCOC1=CC=CCC=C1
InChIInChI=1S/C9H12O.C2H6/c1-2-10-9-7-5-3-4-6-8-9;1-2/h3,5-8H,2,4H2,1H3;1-2H3
InChIKeyDZILZVJXXYJDSZ-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.45
Rot. Bonds2

About ethane;3-ethoxycyclohepta-1,3,5-triene

ethane;3-ethoxycyclohepta-1,3,5-triene (PubChem CID 142833212) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is ethane;3-ethoxycyclohepta-1,3,5-triene.

Molecular Properties

Compound Nameethane;3-ethoxycyclohepta-1,3,5-triene
PubChem CID142833212
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Nameethane;3-ethoxycyclohepta-1,3,5-triene
SMILESCC.CCOC1=CC=CCC=C1
InChIInChI=1S/C9H12O.C2H6/c1-2-10-9-7-5-3-4-6-8-9;1-2/h3,5-8H,2,4H2,1H3;1-2H3
InChIKeyDZILZVJXXYJDSZ-UHFFFAOYSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(ethoxymethyldisulfanyl)cyclohepta-1,3,5-triene
CID 145307616
CID 147900452
CID 147900452
ethane;ethene;3-methylcyclohepta-1,3,5-triene
CID 144635732
(1Z,3Z,6Z,8Z)-1-ethyl-8-methylcyclodeca-1,3,6,8-tetraene
CID 144855425
cyclopenta-1,3-diene;ethoxyethane
CID 67913877
4-cyclohepta-1,3,6-trien-1-yloxy-2-prop-2-enylphenol;ethane
CID 142194063
3-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]cyclohepta-1,3,5-triene
CID 18343923
1-cyclohepta-1,3,6-trien-1-ylpropan-1-one
CID 123139786
nonakis(cyclopenta-1,3-diene);ethane;methane;2-methylpropane;propane
CID 157111538
cyclohepta-1,3,6-triene-1-carbaldehyde;methoxymethane;propan-1-amine
CID 145370697
N-cyclohepta-1,3,6-trien-1-yl-N-(2-methylbutan-2-yl)propanamide
CID 153346824
ethane;1-ethoxy-4-methylcyclohepta-1,3,5-triene
CID 164862064

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethoxycyclohepta-1,3,5-triene?
The IUPAC name of ethane;3-ethoxycyclohepta-1,3,5-triene (CID 142833212) is ethane;3-ethoxycyclohepta-1,3,5-triene.
What is the SMILES notation for ethane;3-ethoxycyclohepta-1,3,5-triene?
The canonical SMILES for ethane;3-ethoxycyclohepta-1,3,5-triene is CC.CCOC1=CC=CCC=C1.
What is the InChIKey of ethane;3-ethoxycyclohepta-1,3,5-triene?
The InChIKey is DZILZVJXXYJDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.C2H6/c1-2-10-9-7-5-3-4-6-8-9;1-2/h3,5-8H,2,4H2,1H3;1-2H3.
What are the key properties of ethane;3-ethoxycyclohepta-1,3,5-triene?
ethane;3-ethoxycyclohepta-1,3,5-triene has a molecular weight of 166.26 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethoxycyclohepta-1,3,5-triene is sourced from PubChem (CID 142833212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).