1-methoxycyclohepta-1,2-diene

C8H12O — CID 57048687

IUPAC1-methoxycyclohepta-1,2-diene
SMILESCOC1=C=CCCCC1
InChIInChI=1S/C8H12O/c1-9-8-6-4-2-3-5-7-8/h4H,2-3,5,7H2,1H3
InChIKeySVEUJXIIRWMHTH-UHFFFAOYSA-N
MW124.18 g/mol
LogP2.25
Rot. Bonds1

About 1-methoxycyclohepta-1,2-diene

1-methoxycyclohepta-1,2-diene (PubChem CID 57048687) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 1-methoxycyclohepta-1,2-diene.

Molecular Properties

Compound Name1-methoxycyclohepta-1,2-diene
PubChem CID57048687
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name1-methoxycyclohepta-1,2-diene
SMILESCOC1=C=CCCCC1
InChIInChI=1S/C8H12O/c1-9-8-6-4-2-3-5-7-8/h4H,2-3,5,7H2,1H3
InChIKeySVEUJXIIRWMHTH-UHFFFAOYSA-N
XLogP2.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methoxy-1-heptene
CID 551618
3-Methoxyhepta-1,2-diene
CID 12809050
2-Methoxyocta-1,7-diene
CID 16726270
1-Methoxycycloocta-1,2-diene
CID 57272301
1-Propoxycyclohepta-1,2-diene
CID 57292617

Frequently Asked Questions

What is the IUPAC name of 1-methoxycyclohepta-1,2-diene?
The IUPAC name of 1-methoxycyclohepta-1,2-diene (CID 57048687) is 1-methoxycyclohepta-1,2-diene.
What is the SMILES notation for 1-methoxycyclohepta-1,2-diene?
The canonical SMILES for 1-methoxycyclohepta-1,2-diene is COC1=C=CCCCC1.
What is the InChIKey of 1-methoxycyclohepta-1,2-diene?
The InChIKey is SVEUJXIIRWMHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-9-8-6-4-2-3-5-7-8/h4H,2-3,5,7H2,1H3.
What are the key properties of 1-methoxycyclohepta-1,2-diene?
1-methoxycyclohepta-1,2-diene has a molecular weight of 124.18 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxycyclohepta-1,2-diene is sourced from PubChem (CID 57048687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).