5-[methoxy-(2-methylcyclopenta-2,4-dien-1-yl)methyl]-1-methylcyclopenta-1,3-diene

C14H18O — CID 175708631

IUPAC5-[methoxy-(2-methylcyclopenta-2,4-dien-1-yl)methyl]-1-methylcyclopenta-1,3-diene
SMILESCOC(C1C=CC=C1C)C1C=CC=C1C
InChIInChI=1S/C14H18O/c1-10-6-4-8-12(10)14(15-3)13-9-5-7-11(13)2/h4-9,12-14H,1-3H3
InChIKeyFGIAFTTUFKNWBZ-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.27
Rot. Bonds3

About 5-[methoxy-(2-methylcyclopenta-2,4-dien-1-yl)methyl]-1-methylcyclopenta-1,3-diene

5-[methoxy-(2-methylcyclopenta-2,4-dien-1-yl)methyl]-1-methylcyclopenta-1,3-diene (PubChem CID 175708631) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 5-[methoxy-(2-methylcyclopenta-2,4-dien-1-yl)methyl]-1-methylcyclopenta-1,3-diene.

Molecular Properties

Compound Name5-[methoxy-(2-methylcyclopenta-2,4-dien-1-yl)methyl]-1-methylcyclopenta-1,3-diene
PubChem CID175708631
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name5-[methoxy-(2-methylcyclopenta-2,4-dien-1-yl)methyl]-1-methylcyclopenta-1,3-diene
SMILESCOC(C1C=CC=C1C)C1C=CC=C1C
InChIInChI=1S/C14H18O/c1-10-6-4-8-12(10)14(15-3)13-9-5-7-11(13)2/h4-9,12-14H,1-3H3
InChIKeyFGIAFTTUFKNWBZ-UHFFFAOYSA-N
XLogP3.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,5-dimethyl-4a,8a-dihydronaphthalene
CID 15555373
(2-methylcyclopenta-2,4-dien-1-yl)silane
CID 150982672
(1S)-1-(2-iodocyclopenta-2,4-dien-1-yl)ethanol
CID 87894089
5-(2,2-dimethylpropyl)-1-methylcyclopenta-1,3-diene
CID 23678565
5-cyclopenta-2,4-dien-1-yl-1-methylcyclopenta-1,3-diene
CID 15153107
5-ethyl-1-methylcyclopenta-1,3-diene;zirconium
CID 174480291
2-methylbicyclo[4.1.0]hepta-2,4-diene
CID 123235064
difluorozirconium;1,5-dimethylcyclopenta-1,3-diene
CID 174427609
dichloro-bis(2-methylcyclopenta-2,4-dien-1-yl)silane
CID 139699557
1,6,7-trimethylcyclohepta-1,3,5-triene
CID 123961293
(1S,2R)-1-deuterio-6-methylcyclohexa-3,5-diene-1,2-diol
CID 100921936
(2-methylcyclopenta-2,4-dien-1-yl)-bis(2-methylpropyl)alumane
CID 145373365

Frequently Asked Questions

What is the IUPAC name of 5-[methoxy-(2-methylcyclopenta-2,4-dien-1-yl)methyl]-1-methylcyclopenta-1,3-diene?
The IUPAC name of 5-[methoxy-(2-methylcyclopenta-2,4-dien-1-yl)methyl]-1-methylcyclopenta-1,3-diene (CID 175708631) is 5-[methoxy-(2-methylcyclopenta-2,4-dien-1-yl)methyl]-1-methylcyclopenta-1,3-diene.
What is the SMILES notation for 5-[methoxy-(2-methylcyclopenta-2,4-dien-1-yl)methyl]-1-methylcyclopenta-1,3-diene?
The canonical SMILES for 5-[methoxy-(2-methylcyclopenta-2,4-dien-1-yl)methyl]-1-methylcyclopenta-1,3-diene is COC(C1C=CC=C1C)C1C=CC=C1C.
What is the InChIKey of 5-[methoxy-(2-methylcyclopenta-2,4-dien-1-yl)methyl]-1-methylcyclopenta-1,3-diene?
The InChIKey is FGIAFTTUFKNWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-10-6-4-8-12(10)14(15-3)13-9-5-7-11(13)2/h4-9,12-14H,1-3H3.
What are the key properties of 5-[methoxy-(2-methylcyclopenta-2,4-dien-1-yl)methyl]-1-methylcyclopenta-1,3-diene?
5-[methoxy-(2-methylcyclopenta-2,4-dien-1-yl)methyl]-1-methylcyclopenta-1,3-diene has a molecular weight of 202.30 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methoxy-(2-methylcyclopenta-2,4-dien-1-yl)methyl]-1-methylcyclopenta-1,3-diene is sourced from PubChem (CID 175708631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).