methoxymethylcyclooctatetraene

C10H12O — CID 5370610

IUPACmethoxymethylcyclooctatetraene
SMILESCOCC1=C/C=C\C=C/C=C\1
InChIInChI=1S/C10H12O/c1-11-9-10-7-5-3-2-4-6-8-10/h2-8H,9H2,1H3/b3-2-,4-2-,5-3-,6-4-,7-5-,8-6-,10-7+,10-8+
InChIKeyTYAROVSCCXAORU-WPNMQWKZSA-N
MW148.20 g/mol
LogP2.24
Rot. Bonds2

About methoxymethylcyclooctatetraene

methoxymethylcyclooctatetraene (PubChem CID 5370610) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is methoxymethylcyclooctatetraene.

Molecular Properties

Compound Namemethoxymethylcyclooctatetraene
PubChem CID5370610
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Namemethoxymethylcyclooctatetraene
SMILESCOCC1=C/C=C\C=C/C=C\1
InChIInChI=1S/C10H12O/c1-11-9-10-7-5-3-2-4-6-8-10/h2-8H,9H2,1H3/b3-2-,4-2-,5-3-,6-4-,7-5-,8-6-,10-7+,10-8+
InChIKeyTYAROVSCCXAORU-WPNMQWKZSA-N
XLogP2.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Methoxy-2-prop-1-enylcyclohexa-1,3-diene
CID 20975449
3-Ethenyl-6-methoxyhexa-1,3-diene
CID 134835479
Methoxymethylcyclopentadien
CID 82952
5-Methyl-oxine
CID 18410493
Lithium methoxymethylbenzene
CID 22382344
2-(6-Methylhepta-2,5-dien-2-yl)oxirene
CID 54175100
3,8-dihydro-2H-oxocine
CID 91329391
5-Fluoro-2-(methoxymethyl)cyclohexa-1,3-diene
CID 117790550
(3E,5E)-6-fluoro-3-(methoxymethyl)hepta-1,3,5-triene
CID 130384114
(3E)-2-fluoro-4-(methoxymethyl)hexa-1,3,5-triene
CID 142559833
(3Z,5Z)-5-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene
CID 142987715
(3Z)-2-fluoro-3-(methoxymethyl)hexa-1,3,5-triene
CID 143805716

Frequently Asked Questions

What is the IUPAC name of methoxymethylcyclooctatetraene?
The IUPAC name of methoxymethylcyclooctatetraene (CID 5370610) is methoxymethylcyclooctatetraene.
What is the SMILES notation for methoxymethylcyclooctatetraene?
The canonical SMILES for methoxymethylcyclooctatetraene is COCC1=C/C=C\C=C/C=C\1.
What is the InChIKey of methoxymethylcyclooctatetraene?
The InChIKey is TYAROVSCCXAORU-WPNMQWKZSA-N. The full InChI is InChI=1S/C10H12O/c1-11-9-10-7-5-3-2-4-6-8-10/h2-8H,9H2,1H3/b3-2-,4-2-,5-3-,6-4-,7-5-,8-6-,10-7+,10-8+.
What are the key properties of methoxymethylcyclooctatetraene?
methoxymethylcyclooctatetraene has a molecular weight of 148.20 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethylcyclooctatetraene is sourced from PubChem (CID 5370610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).