(4-cyclopenta-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-ethoxymethanolate

C14H13O2- — CID 13145380

IUPAC(4-cyclopenta-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-ethoxymethanolate
SMILESCCOC([O-])=c1ccc(=C2C=CC=C2)cc1
InChIInChI=1S/C14H14O2/c1-2-16-14(15)13-9-7-12(8-10-13)11-5-3-4-6-11/h3-10,15H,2H2,1H3/p-1
InChIKeyLHCOSVWIQCICND-UHFFFAOYSA-M
MW213.26 g/mol
LogP0.43
Rot. Bonds2

About (4-cyclopenta-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-ethoxymethanolate

(4-cyclopenta-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-ethoxymethanolate (PubChem CID 13145380) has the molecular formula C14H13O2- and a molecular weight of 213.26 g/mol. Its IUPAC name is (4-cyclopenta-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-ethoxymethanolate.

Molecular Properties

Compound Name(4-cyclopenta-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-ethoxymethanolate
PubChem CID13145380
Molecular FormulaC14H13O2-
Molecular Weight213.26 g/mol
Exact Mass213.09
IUPAC Name(4-cyclopenta-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-ethoxymethanolate
SMILESCCOC([O-])=c1ccc(=C2C=CC=C2)cc1
InChIInChI=1S/C14H14O2/c1-2-16-14(15)13-9-7-12(8-10-13)11-5-3-4-6-11/h3-10,15H,2H2,1H3/p-1
InChIKeyLHCOSVWIQCICND-UHFFFAOYSA-M
XLogP0.43
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-(cyclopenta-2,4-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene)-2H-1,3-dioxole
CID 101902360
Cyclopenta-2,4-dien-1-ylidene(methoxy)methanolate
CID 11987089
Lithium carbomethoxycyclopentadienide
CID 129671640
Sodium carbomethoxycyclopentadienide
CID 23718598
5-(Dimethoxymethylidene)cyclopenta-1,3-diene
CID 12727424
Cyclopenta-2,4-dien-1-ylidene(ethoxy)methanolate
CID 12481623
(E)-3-cyclopenta-2,4-dien-1-ylidene-1-ethoxyprop-1-en-1-olate
CID 12545700
Sodium carboethoxycyclopentadienide
CID 23697899
Cyclopenta-2,4-dien-1-ylidene-[(2-methylpropan-2-yl)oxy]methanolate
CID 88096468
Dimethoxymethylenecyclohexadiene
CID 129819844
lithium (1E,3Z)-1-ethoxyhepta-1,3-dien-1-olate
CID 134905104
lithium (1Z,3Z)-1-ethoxyhepta-1,3-dien-1-olate
CID 134976004

Frequently Asked Questions

What is the IUPAC name of (4-cyclopenta-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-ethoxymethanolate?
The IUPAC name of (4-cyclopenta-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-ethoxymethanolate (CID 13145380) is (4-cyclopenta-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-ethoxymethanolate.
What is the SMILES notation for (4-cyclopenta-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-ethoxymethanolate?
The canonical SMILES for (4-cyclopenta-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-ethoxymethanolate is CCOC([O-])=c1ccc(=C2C=CC=C2)cc1.
What is the InChIKey of (4-cyclopenta-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-ethoxymethanolate?
The InChIKey is LHCOSVWIQCICND-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H14O2/c1-2-16-14(15)13-9-7-12(8-10-13)11-5-3-4-6-11/h3-10,15H,2H2,1H3/p-1.
What are the key properties of (4-cyclopenta-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-ethoxymethanolate?
(4-cyclopenta-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-ethoxymethanolate has a molecular weight of 213.26 g/mol, XLogP of 0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopenta-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-ethoxymethanolate is sourced from PubChem (CID 13145380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).