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

C8H12O — CID 19748000

IUPAC2-(methoxymethyl)cyclohexa-1,3-diene
SMILESCOCC1=CCCC=C1
InChIInChI=1S/C8H12O/c1-9-7-8-5-3-2-4-6-8/h3,5-6H,2,4,7H2,1H3
InChIKeyBCYRQRKYRIYNBT-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.91
Rot. Bonds2

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

2-(methoxymethyl)cyclohexa-1,3-diene (PubChem CID 19748000) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 2-(methoxymethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-(methoxymethyl)cyclohexa-1,3-diene
PubChem CID19748000
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name2-(methoxymethyl)cyclohexa-1,3-diene
SMILESCOCC1=CCCC=C1
InChIInChI=1S/C8H12O/c1-9-7-8-5-3-2-4-6-8/h3,5-6H,2,4,7H2,1H3
InChIKeyBCYRQRKYRIYNBT-UHFFFAOYSA-N
XLogP1.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)cyclohexa-1,3-diene?
The IUPAC name of 2-(methoxymethyl)cyclohexa-1,3-diene (CID 19748000) is 2-(methoxymethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 2-(methoxymethyl)cyclohexa-1,3-diene?
The canonical SMILES for 2-(methoxymethyl)cyclohexa-1,3-diene is COCC1=CCCC=C1.
What is the InChIKey of 2-(methoxymethyl)cyclohexa-1,3-diene?
The InChIKey is BCYRQRKYRIYNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-9-7-8-5-3-2-4-6-8/h3,5-6H,2,4,7H2,1H3.
What are the key properties of 2-(methoxymethyl)cyclohexa-1,3-diene?
2-(methoxymethyl)cyclohexa-1,3-diene has a molecular weight of 124.18 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 19748000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).