1-methoxycyclohexa-1,2-diene

C7H10O — CID 57178098

IUPAC1-methoxycyclohexa-1,2-diene
SMILESCOC1=C=CCCC1
InChIInChI=1S/C7H10O/c1-8-7-5-3-2-4-6-7/h3H,2,4,6H2,1H3
InChIKeyWVTGSWLRUNIDAM-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.86
Rot. Bonds1

About 1-methoxycyclohexa-1,2-diene

1-methoxycyclohexa-1,2-diene (PubChem CID 57178098) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 1-methoxycyclohexa-1,2-diene.

Molecular Properties

Compound Name1-methoxycyclohexa-1,2-diene
PubChem CID57178098
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name1-methoxycyclohexa-1,2-diene
SMILESCOC1=C=CCCC1
InChIInChI=1S/C7H10O/c1-8-7-5-3-2-4-6-7/h3H,2,4,6H2,1H3
InChIKeyWVTGSWLRUNIDAM-UHFFFAOYSA-N
XLogP1.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxycyclohexa-1,2-diene?
The IUPAC name of 1-methoxycyclohexa-1,2-diene (CID 57178098) is 1-methoxycyclohexa-1,2-diene.
What is the SMILES notation for 1-methoxycyclohexa-1,2-diene?
The canonical SMILES for 1-methoxycyclohexa-1,2-diene is COC1=C=CCCC1.
What is the InChIKey of 1-methoxycyclohexa-1,2-diene?
The InChIKey is WVTGSWLRUNIDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-8-7-5-3-2-4-6-7/h3H,2,4,6H2,1H3.
What are the key properties of 1-methoxycyclohexa-1,2-diene?
1-methoxycyclohexa-1,2-diene has a molecular weight of 110.16 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxycyclohexa-1,2-diene is sourced from PubChem (CID 57178098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).