5-(methoxymethoxy)cyclohexa-1,5-dien-1-ol

C8H12O3 — CID 45083154

IUPAC5-(methoxymethoxy)cyclohexa-1,5-dien-1-ol
SMILESCOCOC1=CC(O)=CCC1
InChIInChI=1S/C8H12O3/c1-10-6-11-8-4-2-3-7(9)5-8/h3,5,9H,2,4,6H2,1H3
InChIKeyKIVUXDJIBRSCCU-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.73
Rot. Bonds3

About 5-(methoxymethoxy)cyclohexa-1,5-dien-1-ol

5-(methoxymethoxy)cyclohexa-1,5-dien-1-ol (PubChem CID 45083154) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 5-(methoxymethoxy)cyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name5-(methoxymethoxy)cyclohexa-1,5-dien-1-ol
PubChem CID45083154
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name5-(methoxymethoxy)cyclohexa-1,5-dien-1-ol
SMILESCOCOC1=CC(O)=CCC1
InChIInChI=1S/C8H12O3/c1-10-6-11-8-4-2-3-7(9)5-8/h3,5,9H,2,4,6H2,1H3
InChIKeyKIVUXDJIBRSCCU-UHFFFAOYSA-N
XLogP1.73
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-ethoxy-3-methylcyclohexa-1,3-diene
CID 21315553
3-(cyclobuten-1-yloxy)propan-1-ol
CID 150941808
3-(methoxymethoxy)-5-methylcyclohex-2-en-1-one
CID 45116924
CID 174862335
CID 174862335
carbon monoxide;1,3-dimethoxycyclohexa-1,3-diene;iron
CID 12568775
3-(cyclohexen-1-yloxy)-2,2-dimethylpropan-1-ol
CID 106651390
6-(methoxymethoxy)-1,8-dimethyl-2,3-dihydronaphthalene
CID 170314610
1,4-bis(methoxymethoxy)benzene
CID 542643
(5-methoxycyclohexa-1,5-dien-1-yl)oxy-trimethylsilane
CID 13416647
4-(methoxymethoxymethyl)cyclohepta-2,4-diene-1-thione
CID 123798173
3-fluoro-1-[(1-methylcyclopropyl)methoxy]cyclohexa-1,3-diene
CID 173485583
[4-(methoxymethoxy)phenyl]methanol
CID 11607984

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethoxy)cyclohexa-1,5-dien-1-ol?
The IUPAC name of 5-(methoxymethoxy)cyclohexa-1,5-dien-1-ol (CID 45083154) is 5-(methoxymethoxy)cyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 5-(methoxymethoxy)cyclohexa-1,5-dien-1-ol?
The canonical SMILES for 5-(methoxymethoxy)cyclohexa-1,5-dien-1-ol is COCOC1=CC(O)=CCC1.
What is the InChIKey of 5-(methoxymethoxy)cyclohexa-1,5-dien-1-ol?
The InChIKey is KIVUXDJIBRSCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-10-6-11-8-4-2-3-7(9)5-8/h3,5,9H,2,4,6H2,1H3.
What are the key properties of 5-(methoxymethoxy)cyclohexa-1,5-dien-1-ol?
5-(methoxymethoxy)cyclohexa-1,5-dien-1-ol has a molecular weight of 156.18 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethoxy)cyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 45083154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).