7-methoxycycloocta-1,3,5-triene

C9H12O — CID 71368516

IUPAC7-methoxycycloocta-1,3,5-triene
SMILESCOC1C=CC=CC=CC1
InChIInChI=1S/C9H12O/c1-10-9-7-5-3-2-4-6-8-9/h2-7,9H,8H2,1H3
InChIKeyFIKZQKWMHKIGHI-UHFFFAOYSA-N
MW136.19 g/mol
LogP2.07
Rot. Bonds1

About 7-methoxycycloocta-1,3,5-triene

7-methoxycycloocta-1,3,5-triene (PubChem CID 71368516) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 7-methoxycycloocta-1,3,5-triene.

Molecular Properties

Compound Name7-methoxycycloocta-1,3,5-triene
PubChem CID71368516
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name7-methoxycycloocta-1,3,5-triene
SMILESCOC1C=CC=CC=CC1
InChIInChI=1S/C9H12O/c1-10-9-7-5-3-2-4-6-8-9/h2-7,9H,8H2,1H3
InChIKeyFIKZQKWMHKIGHI-UHFFFAOYSA-N
XLogP2.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-methoxycycloocta-1,3,5-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1Z,3Z,5Z)-8-methoxycyclonona-1,3,5-triene
CID 20670302
di(cyclohexa-2,4-dien-1-yloxy)methanimine
CID 163641188
cyclohexa-2,4-dien-1-yl propanoate
CID 19827271
cyclohexa-2,4-dien-1-yloxycyclooctane
CID 123602198
1-cyclohexa-2,4-dien-1-yloxy-4-ethylbenzene
CID 123160220
3,6-dimethoxycyclohexene
CID 12723453
5-(4-propan-2-ylcyclohex-3-en-1-yl)oxycyclohexa-1,3-diene
CID 123617028
5-cyclohexa-2,4-dien-1-yloxy-4-methoxypyridine-2-carboxylic acid
CID 167157914
(5R)-5-propan-2-ylcyclohexa-1,3-diene
CID 134896176
6-methoxy-2-methylcyclohexa-1,3-diene;hydrochloride
CID 144964238
2,5-dimethoxycyclohexa-1,3-diene
CID 13404344
5-(ethoxymethyl)cyclohexa-1,3-diene
CID 23229072

Frequently Asked Questions

What is the IUPAC name of 7-methoxycycloocta-1,3,5-triene?
The IUPAC name of 7-methoxycycloocta-1,3,5-triene (CID 71368516) is 7-methoxycycloocta-1,3,5-triene.
What is the SMILES notation for 7-methoxycycloocta-1,3,5-triene?
The canonical SMILES for 7-methoxycycloocta-1,3,5-triene is COC1C=CC=CC=CC1.
What is the InChIKey of 7-methoxycycloocta-1,3,5-triene?
The InChIKey is FIKZQKWMHKIGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-10-9-7-5-3-2-4-6-8-9/h2-7,9H,8H2,1H3.
What are the key properties of 7-methoxycycloocta-1,3,5-triene?
7-methoxycycloocta-1,3,5-triene has a molecular weight of 136.19 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxycycloocta-1,3,5-triene is sourced from PubChem (CID 71368516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).