1-[6-(methoxymethoxy)hexyl]cyclopenta-1,3-diene

C13H22O2 — CID 101032482

IUPAC1-[6-(methoxymethoxy)hexyl]cyclopenta-1,3-diene
SMILESCOCOCCCCCCC1=CC=CC1
InChIInChI=1S/C13H22O2/c1-14-12-15-11-7-3-2-4-8-13-9-5-6-10-13/h5-6,9H,2-4,7-8,10-12H2,1H3
InChIKeyISTGDRWIMVJLTF-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.44
Rot. Bonds9

About 1-[6-(methoxymethoxy)hexyl]cyclopenta-1,3-diene

1-[6-(methoxymethoxy)hexyl]cyclopenta-1,3-diene (PubChem CID 101032482) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-[6-(methoxymethoxy)hexyl]cyclopenta-1,3-diene.

Molecular Properties

Compound Name1-[6-(methoxymethoxy)hexyl]cyclopenta-1,3-diene
PubChem CID101032482
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name1-[6-(methoxymethoxy)hexyl]cyclopenta-1,3-diene
SMILESCOCOCCCCCCC1=CC=CC1
InChIInChI=1S/C13H22O2/c1-14-12-15-11-7-3-2-4-8-13-9-5-6-10-13/h5-6,9H,2-4,7-8,10-12H2,1H3
InChIKeyISTGDRWIMVJLTF-UHFFFAOYSA-N
XLogP3.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-iodobutyl)cyclopenta-1,3-diene
CID 158882988
1-(2-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene
CID 12744927
3-cyclopenta-1,3-dien-1-ylpropyl(trimethyl)silane
CID 162074048
7-(methoxymethoxy)heptan-1-ol
CID 102354620
1-(2-chloroethyl)cyclopenta-1,3-diene
CID 67710755
1-hept-6-enylcyclohepta-1,3,5-triene
CID 144531199
chloro-(3-cyclopenta-1,3-dien-1-ylpropyl)-dimethylsilane
CID 154404543
1-[3-cyclopenta-1,3-dien-1-ylpropoxy-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
CID 12067687
bis(1-ethylcyclopenta-1,3-diene);ruthenium
CID 12730332
1-(methoxymethoxy)-6-methylheptane
CID 54450331
1-ethylcyclopenta-1,3-diene
CID 528166
(10R)-10-deuterio-1-(methoxymethoxy)tridecane
CID 10562335

Frequently Asked Questions

What is the IUPAC name of 1-[6-(methoxymethoxy)hexyl]cyclopenta-1,3-diene?
The IUPAC name of 1-[6-(methoxymethoxy)hexyl]cyclopenta-1,3-diene (CID 101032482) is 1-[6-(methoxymethoxy)hexyl]cyclopenta-1,3-diene.
What is the SMILES notation for 1-[6-(methoxymethoxy)hexyl]cyclopenta-1,3-diene?
The canonical SMILES for 1-[6-(methoxymethoxy)hexyl]cyclopenta-1,3-diene is COCOCCCCCCC1=CC=CC1.
What is the InChIKey of 1-[6-(methoxymethoxy)hexyl]cyclopenta-1,3-diene?
The InChIKey is ISTGDRWIMVJLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-14-12-15-11-7-3-2-4-8-13-9-5-6-10-13/h5-6,9H,2-4,7-8,10-12H2,1H3.
What are the key properties of 1-[6-(methoxymethoxy)hexyl]cyclopenta-1,3-diene?
1-[6-(methoxymethoxy)hexyl]cyclopenta-1,3-diene has a molecular weight of 210.32 g/mol, XLogP of 3.44, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(methoxymethoxy)hexyl]cyclopenta-1,3-diene is sourced from PubChem (CID 101032482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).