(E)-methoxy-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanolate

C10H11O3- — CID 134844162

IUPAC(E)-methoxy-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanolate
SMILESC=c1cccc(OC)/c1=C(\[O-])OC
InChIInChI=1S/C10H12O3/c1-7-5-4-6-8(12-2)9(7)10(11)13-3/h4-6,11H,1H2,2-3H3/p-1/b10-9+
InChIKeyBNGOOBVEQSMXIA-MDZDMXLPSA-M
MW179.19 g/mol
LogP-0.82
Rot. Bonds2

About (E)-methoxy-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanolate

(E)-methoxy-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanolate (PubChem CID 134844162) has the molecular formula C10H11O3- and a molecular weight of 179.19 g/mol. Its IUPAC name is (E)-methoxy-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanolate.

Molecular Properties

Compound Name(E)-methoxy-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanolate
PubChem CID134844162
Molecular FormulaC10H11O3-
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name(E)-methoxy-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanolate
SMILESC=c1cccc(OC)/c1=C(\[O-])OC
InChIInChI=1S/C10H12O3/c1-7-5-4-6-8(12-2)9(7)10(11)13-3/h4-6,11H,1H2,2-3H3/p-1/b10-9+
InChIKeyBNGOOBVEQSMXIA-MDZDMXLPSA-M
XLogP-0.82
TPSA41.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 5-0.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Dimethoxycyclohexadiene
CID 14358150
2-(1,1-Dimethoxyethyl)cyclohexa-1,3-diene
CID 70338625
1,3-Dimethoxy-3-methylbenzene
CID 129707622
Methylene 3,4-methylenedioxybenzene
CID 162393126
(1Z,7Z,9Z,11Z)-3,16-dimethoxytricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene
CID 6536678
8-Lithio-1-methoxynaphthalene
CID 13417963
1,4-Dimethoxy-5,6-dimethylidenecyclohexa-1,3-diene
CID 85560711
1-Methoxy-2,5-dihydropropenylbenzene
CID 129805432
[5-(Methoxymethoxy)-6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]methanone
CID 134873049
6-Methoxycyclopenta[a]inden-4-olate
CID 134966409
(E)-(5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol
CID 134993306
lithium 7-methoxy-1H-2-benzofuran-1-ide
CID 138971374

Frequently Asked Questions

What is the IUPAC name of (E)-methoxy-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanolate?
The IUPAC name of (E)-methoxy-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanolate (CID 134844162) is (E)-methoxy-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanolate.
What is the SMILES notation for (E)-methoxy-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanolate?
The canonical SMILES for (E)-methoxy-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanolate is C=c1cccc(OC)/c1=C(\[O-])OC.
What is the InChIKey of (E)-methoxy-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanolate?
The InChIKey is BNGOOBVEQSMXIA-MDZDMXLPSA-M. The full InChI is InChI=1S/C10H12O3/c1-7-5-4-6-8(12-2)9(7)10(11)13-3/h4-6,11H,1H2,2-3H3/p-1/b10-9+.
What are the key properties of (E)-methoxy-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanolate?
(E)-methoxy-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanolate has a molecular weight of 179.19 g/mol, XLogP of -0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-methoxy-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanolate is sourced from PubChem (CID 134844162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).