6-(2-methoxyethyl)-1-methylcyclohexa-1,3-diene

C10H16O — CID 70336643

IUPAC6-(2-methoxyethyl)-1-methylcyclohexa-1,3-diene
SMILESCOCCC1CC=CC=C1C
InChIInChI=1S/C10H16O/c1-9-5-3-4-6-10(9)7-8-11-2/h3-5,10H,6-8H2,1-2H3
InChIKeyQVNUPJKDTYEYBE-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.55
Rot. Bonds3

About 6-(2-methoxyethyl)-1-methylcyclohexa-1,3-diene

6-(2-methoxyethyl)-1-methylcyclohexa-1,3-diene (PubChem CID 70336643) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 6-(2-methoxyethyl)-1-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name6-(2-methoxyethyl)-1-methylcyclohexa-1,3-diene
PubChem CID70336643
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name6-(2-methoxyethyl)-1-methylcyclohexa-1,3-diene
SMILESCOCCC1CC=CC=C1C
InChIInChI=1S/C10H16O/c1-9-5-3-4-6-10(9)7-8-11-2/h3-5,10H,6-8H2,1-2H3
InChIKeyQVNUPJKDTYEYBE-UHFFFAOYSA-N
XLogP2.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethyl)-1-methylcyclohexa-1,3-diene?
The IUPAC name of 6-(2-methoxyethyl)-1-methylcyclohexa-1,3-diene (CID 70336643) is 6-(2-methoxyethyl)-1-methylcyclohexa-1,3-diene.
What is the SMILES notation for 6-(2-methoxyethyl)-1-methylcyclohexa-1,3-diene?
The canonical SMILES for 6-(2-methoxyethyl)-1-methylcyclohexa-1,3-diene is COCCC1CC=CC=C1C.
What is the InChIKey of 6-(2-methoxyethyl)-1-methylcyclohexa-1,3-diene?
The InChIKey is QVNUPJKDTYEYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-9-5-3-4-6-10(9)7-8-11-2/h3-5,10H,6-8H2,1-2H3.
What are the key properties of 6-(2-methoxyethyl)-1-methylcyclohexa-1,3-diene?
6-(2-methoxyethyl)-1-methylcyclohexa-1,3-diene has a molecular weight of 152.24 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethyl)-1-methylcyclohexa-1,3-diene is sourced from PubChem (CID 70336643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).