[5-(methoxymethoxy)-6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]methanone

C10H8O4 — CID 134873049

IUPAC[5-(methoxymethoxy)-6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]methanone
SMILESCOCOc1cccc(=C=O)c1=C=O
InChIInChI=1S/C10H8O4/c1-13-7-14-10-4-2-3-8(5-11)9(10)6-12/h2-4H,7H2,1H3
InChIKeyRENLJOXXVLKDPW-UHFFFAOYSA-N
MW192.17 g/mol
LogP-1.32
Rot. Bonds3

About [5-(methoxymethoxy)-6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]methanone

[5-(methoxymethoxy)-6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]methanone (PubChem CID 134873049) has the molecular formula C10H8O4 and a molecular weight of 192.17 g/mol. Its IUPAC name is [5-(methoxymethoxy)-6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]methanone.

Molecular Properties

Compound Name[5-(methoxymethoxy)-6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]methanone
PubChem CID134873049
Molecular FormulaC10H8O4
Molecular Weight192.17 g/mol
Exact Mass192.04
IUPAC Name[5-(methoxymethoxy)-6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]methanone
SMILESCOCOc1cccc(=C=O)c1=C=O
InChIInChI=1S/C10H8O4/c1-13-7-14-10-4-2-3-8(5-11)9(10)6-12/h2-4H,7H2,1H3
InChIKeyRENLJOXXVLKDPW-UHFFFAOYSA-N
XLogP-1.32
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 5-1.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methylene 3,4-methylenedioxybenzene
CID 162393126
(E)-methoxy-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanolate
CID 134844162
(2-Methoxycyclohexa-2,4-dien-1-ylidene)methanone
CID 54252008
5-propan-2-ylidene-4H-1,3-benzodioxole
CID 57317605
(2-Methoxycarbonyloxycyclohexa-1,3-dien-1-yl) methyl carbonate
CID 68401580
Cyclohexa-1,5-dien-1-yl methoxymethyl carbonate
CID 142963415
5-ethylidene-4H-1,3-benzodioxole
CID 152123475
Butyl [6-(oxomethylidene)cyclohexa-2,4-dien-1-yl] carbonate
CID 153408341
CID 154104781
CID 154104781
4-But-1-en-2-yl-5-ethenyl-1,3-dioxole
CID 156796243
(2-Methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanone
CID 10057645
lithium 4-ethyl-8-(methoxymethoxy)-2H-naphthalen-2-ide
CID 23691138

Frequently Asked Questions

What is the IUPAC name of [5-(methoxymethoxy)-6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]methanone?
The IUPAC name of [5-(methoxymethoxy)-6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]methanone (CID 134873049) is [5-(methoxymethoxy)-6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]methanone.
What is the SMILES notation for [5-(methoxymethoxy)-6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]methanone?
The canonical SMILES for [5-(methoxymethoxy)-6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]methanone is COCOc1cccc(=C=O)c1=C=O.
What is the InChIKey of [5-(methoxymethoxy)-6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]methanone?
The InChIKey is RENLJOXXVLKDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O4/c1-13-7-14-10-4-2-3-8(5-11)9(10)6-12/h2-4H,7H2,1H3.
What are the key properties of [5-(methoxymethoxy)-6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]methanone?
[5-(methoxymethoxy)-6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]methanone has a molecular weight of 192.17 g/mol, XLogP of -1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methoxymethoxy)-6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]methanone is sourced from PubChem (CID 134873049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).