1-(2-cyclopenta-1,3-dien-1-yloxyethoxy)cyclopenta-1,3-diene

C12H14O2 — CID 13032212

IUPAC1-(2-cyclopenta-1,3-dien-1-yloxyethoxy)cyclopenta-1,3-diene
SMILESC1=CCC(OCCOC2=CC=CC2)=C1
InChIInChI=1S/C12H14O2/c1-2-6-11(5-1)13-9-10-14-12-7-3-4-8-12/h1-5,7H,6,8-10H2
InChIKeyHKMXGMXWGKOOEG-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.71
Rot. Bonds5

About 1-(2-cyclopenta-1,3-dien-1-yloxyethoxy)cyclopenta-1,3-diene

1-(2-cyclopenta-1,3-dien-1-yloxyethoxy)cyclopenta-1,3-diene (PubChem CID 13032212) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1-(2-cyclopenta-1,3-dien-1-yloxyethoxy)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1-(2-cyclopenta-1,3-dien-1-yloxyethoxy)cyclopenta-1,3-diene
PubChem CID13032212
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name1-(2-cyclopenta-1,3-dien-1-yloxyethoxy)cyclopenta-1,3-diene
SMILESC1=CCC(OCCOC2=CC=CC2)=C1
InChIInChI=1S/C12H14O2/c1-2-6-11(5-1)13-9-10-14-12-7-3-4-8-12/h1-5,7H,6,8-10H2
InChIKeyHKMXGMXWGKOOEG-UHFFFAOYSA-N
XLogP2.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-nonoxycyclopenta-1,3-diene
CID 175032458
ethane;1-propoxycyclohepta-1,3,5-triene
CID 142183410
dicyclopenta-1,3-dien-1-yl (E)-but-2-enedioate
CID 18347223
cyclopenta-1,3-dien-1-yloxy(imino)phosphane
CID 54070143
4-cyclohexa-1,3-dien-1-yloxybut-1-ene-2-thiol
CID 142289129
tricyclohepta-1,3,5-trien-1-yl borate
CID 141002325
carbonic acid;dicyclopenta-1,3-dien-1-yl sulfate
CID 175514137
1-butoxycyclohexa-1,4-diene
CID 11147826
3-fluoro-1-prop-2-enoxycyclohepta-1,3,5-triene
CID 142242255
bis(1-ethylcyclopenta-1,3-diene);ruthenium
CID 12730332
2-(2-hydroxyethoxy)cyclohexa-2,4-dien-1-one
CID 173452808
cyclopenta-1,3-dien-1-ol;niobium
CID 174382508

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopenta-1,3-dien-1-yloxyethoxy)cyclopenta-1,3-diene?
The IUPAC name of 1-(2-cyclopenta-1,3-dien-1-yloxyethoxy)cyclopenta-1,3-diene (CID 13032212) is 1-(2-cyclopenta-1,3-dien-1-yloxyethoxy)cyclopenta-1,3-diene.
What is the SMILES notation for 1-(2-cyclopenta-1,3-dien-1-yloxyethoxy)cyclopenta-1,3-diene?
The canonical SMILES for 1-(2-cyclopenta-1,3-dien-1-yloxyethoxy)cyclopenta-1,3-diene is C1=CCC(OCCOC2=CC=CC2)=C1.
What is the InChIKey of 1-(2-cyclopenta-1,3-dien-1-yloxyethoxy)cyclopenta-1,3-diene?
The InChIKey is HKMXGMXWGKOOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-2-6-11(5-1)13-9-10-14-12-7-3-4-8-12/h1-5,7H,6,8-10H2.
What are the key properties of 1-(2-cyclopenta-1,3-dien-1-yloxyethoxy)cyclopenta-1,3-diene?
1-(2-cyclopenta-1,3-dien-1-yloxyethoxy)cyclopenta-1,3-diene has a molecular weight of 190.24 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopenta-1,3-dien-1-yloxyethoxy)cyclopenta-1,3-diene is sourced from PubChem (CID 13032212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).