1,3-dimethoxy-5-methylidenecyclohexa-1,3-diene

C9H12O2 — CID 85112621

IUPAC1,3-dimethoxy-5-methylidenecyclohexa-1,3-diene
SMILESC=C1C=C(OC)C=C(OC)C1
InChIInChI=1S/C9H12O2/c1-7-4-8(10-2)6-9(5-7)11-3/h4,6H,1,5H2,2-3H3
InChIKeyWCSYUPLGVUEZHI-UHFFFAOYSA-N
MW152.19 g/mol
LogP2.01
Rot. Bonds2

About 1,3-dimethoxy-5-methylidenecyclohexa-1,3-diene

1,3-dimethoxy-5-methylidenecyclohexa-1,3-diene (PubChem CID 85112621) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 1,3-dimethoxy-5-methylidenecyclohexa-1,3-diene.

Molecular Properties

Compound Name1,3-dimethoxy-5-methylidenecyclohexa-1,3-diene
PubChem CID85112621
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name1,3-dimethoxy-5-methylidenecyclohexa-1,3-diene
SMILESC=C1C=C(OC)C=C(OC)C1
InChIInChI=1S/C9H12O2/c1-7-4-8(10-2)6-9(5-7)11-3/h4,6H,1,5H2,2-3H3
InChIKeyWCSYUPLGVUEZHI-UHFFFAOYSA-N
XLogP2.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Magnesium bromide 4-methoxy-3,5-dimethylbenzen-1-ide (1/1/1)
CID 12914311
(1)Benzopyrano(5,4,3-cde)(1)benzopyran
CID 6451338
(4aZ,8aZ,12aZ,16aZ)-1,16-dimethoxytetraphenylene
CID 11257041
Lithium 1-methoxy-4-methylbenzene-6-ide
CID 10887914
1,3-Cyclohexadiene, 1-methoxy-3-methyl-
CID 12239936
Magnesium;1,4-dimethoxy-2-methylbenzene-5-ide;bromide
CID 13401204
Dimethoxycyclohexadiene
CID 14358150
Lithium 1-methoxy-3-methylbenzene-4-ide
CID 14790499
Lithium 1-methoxy-3,5-dimethylbenzene-4-ide
CID 14943724
2,4-Dimethyl-6-methylidenepyran
CID 20660053
2-Methoxy-5-(methoxymethyl)-2,5-cyclohexadiene
CID 21546448
1,3-Dimethoxy-3-methylbenzene
CID 129707622

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-5-methylidenecyclohexa-1,3-diene?
The IUPAC name of 1,3-dimethoxy-5-methylidenecyclohexa-1,3-diene (CID 85112621) is 1,3-dimethoxy-5-methylidenecyclohexa-1,3-diene.
What is the SMILES notation for 1,3-dimethoxy-5-methylidenecyclohexa-1,3-diene?
The canonical SMILES for 1,3-dimethoxy-5-methylidenecyclohexa-1,3-diene is C=C1C=C(OC)C=C(OC)C1.
What is the InChIKey of 1,3-dimethoxy-5-methylidenecyclohexa-1,3-diene?
The InChIKey is WCSYUPLGVUEZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-7-4-8(10-2)6-9(5-7)11-3/h4,6H,1,5H2,2-3H3.
What are the key properties of 1,3-dimethoxy-5-methylidenecyclohexa-1,3-diene?
1,3-dimethoxy-5-methylidenecyclohexa-1,3-diene has a molecular weight of 152.19 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-5-methylidenecyclohexa-1,3-diene is sourced from PubChem (CID 85112621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).