5-methoxycyclohexa-1,3-diene

C7H10O — CID 12611538

IUPAC5-methoxycyclohexa-1,3-diene
SMILESCOC1C=CC=CC1
InChIInChI=1S/C7H10O/c1-8-7-5-3-2-4-6-7/h2-5,7H,6H2,1H3
InChIKeyJRGPFCACCBCNBN-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.52
Rot. Bonds1

About 5-methoxycyclohexa-1,3-diene

5-methoxycyclohexa-1,3-diene (PubChem CID 12611538) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 5-methoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name5-methoxycyclohexa-1,3-diene
PubChem CID12611538
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name5-methoxycyclohexa-1,3-diene
SMILESCOC1C=CC=CC1
InChIInChI=1S/C7H10O/c1-8-7-5-3-2-4-6-7/h2-5,7H,6H2,1H3
InChIKeyJRGPFCACCBCNBN-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methoxycyclohexa-1,3-diene?
The IUPAC name of 5-methoxycyclohexa-1,3-diene (CID 12611538) is 5-methoxycyclohexa-1,3-diene.
What is the SMILES notation for 5-methoxycyclohexa-1,3-diene?
The canonical SMILES for 5-methoxycyclohexa-1,3-diene is COC1C=CC=CC1.
What is the InChIKey of 5-methoxycyclohexa-1,3-diene?
The InChIKey is JRGPFCACCBCNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-8-7-5-3-2-4-6-7/h2-5,7H,6H2,1H3.
What are the key properties of 5-methoxycyclohexa-1,3-diene?
5-methoxycyclohexa-1,3-diene has a molecular weight of 110.16 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxycyclohexa-1,3-diene is sourced from PubChem (CID 12611538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).