1-(cyclopenta-2,4-dien-1-ylmethoxy)heptan-2-one

C13H20O2 — CID 67370360

IUPAC1-(cyclopenta-2,4-dien-1-ylmethoxy)heptan-2-one
SMILESCCCCCC(=O)COCC1C=CC=C1
InChIInChI=1S/C13H20O2/c1-2-3-4-9-13(14)11-15-10-12-7-5-6-8-12/h5-8,12H,2-4,9-11H2,1H3
InChIKeyBTNPVYFANWNPMP-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.89
Rot. Bonds8

About 1-(cyclopenta-2,4-dien-1-ylmethoxy)heptan-2-one

1-(cyclopenta-2,4-dien-1-ylmethoxy)heptan-2-one (PubChem CID 67370360) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(cyclopenta-2,4-dien-1-ylmethoxy)heptan-2-one.

Molecular Properties

Compound Name1-(cyclopenta-2,4-dien-1-ylmethoxy)heptan-2-one
PubChem CID67370360
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-(cyclopenta-2,4-dien-1-ylmethoxy)heptan-2-one
SMILESCCCCCC(=O)COCC1C=CC=C1
InChIInChI=1S/C13H20O2/c1-2-3-4-9-13(14)11-15-10-12-7-5-6-8-12/h5-8,12H,2-4,9-11H2,1H3
InChIKeyBTNPVYFANWNPMP-UHFFFAOYSA-N
XLogP2.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.89
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-(Cyclopent-2-en-1-yl)-3-ethoxypropan-2-one
CID 71321049
1-(Cyclohexa-2,5-dien-1-ylmethoxy)heptan-2-one
CID 67367969
1-(Cyclopenta-2,4-dien-1-ylmethoxy)-5-methylhexan-2-one
CID 67369070
1-(Cyclopenta-2,4-dien-1-ylmethoxy)-9-methyldecan-2-one
CID 67370172
1-(Cyclopenta-2,4-dien-1-ylmethoxy)hexan-2-one
CID 67370288
1-(Cyclopenta-2,4-dien-1-ylmethoxy)-8-methylnonan-2-one
CID 67370387
1-(Cyclopenta-2,4-dien-1-ylmethoxy)pentan-2-one
CID 67370390
1-(Cyclopenta-2,4-dien-1-ylmethoxy)undecan-2-one
CID 67370983
1-(Cyclopenta-2,4-dien-1-ylmethoxy)-4-ethyloctan-2-one
CID 67371350
1-(Cyclopenta-2,4-dien-1-ylmethoxy)octan-2-one
CID 67371420
1-(Cyclohexa-2,5-dien-1-ylmethoxy)hexan-2-one
CID 67372186
1-(Cyclohexa-2,5-dien-1-ylmethoxy)octan-2-one
CID 67372716

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenta-2,4-dien-1-ylmethoxy)heptan-2-one?
The IUPAC name of 1-(cyclopenta-2,4-dien-1-ylmethoxy)heptan-2-one (CID 67370360) is 1-(cyclopenta-2,4-dien-1-ylmethoxy)heptan-2-one.
What is the SMILES notation for 1-(cyclopenta-2,4-dien-1-ylmethoxy)heptan-2-one?
The canonical SMILES for 1-(cyclopenta-2,4-dien-1-ylmethoxy)heptan-2-one is CCCCCC(=O)COCC1C=CC=C1.
What is the InChIKey of 1-(cyclopenta-2,4-dien-1-ylmethoxy)heptan-2-one?
The InChIKey is BTNPVYFANWNPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-2-3-4-9-13(14)11-15-10-12-7-5-6-8-12/h5-8,12H,2-4,9-11H2,1H3.
What are the key properties of 1-(cyclopenta-2,4-dien-1-ylmethoxy)heptan-2-one?
1-(cyclopenta-2,4-dien-1-ylmethoxy)heptan-2-one has a molecular weight of 208.30 g/mol, XLogP of 2.89, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenta-2,4-dien-1-ylmethoxy)heptan-2-one is sourced from PubChem (CID 67370360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).