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

C16H26O2 — CID 67371350

IUPAC1-(cyclopenta-2,4-dien-1-ylmethoxy)-4-ethyloctan-2-one
SMILESCCCCC(CC)CC(=O)COCC1C=CC=C1
InChIInChI=1S/C16H26O2/c1-3-5-8-14(4-2)11-16(17)13-18-12-15-9-6-7-10-15/h6-7,9-10,14-15H,3-5,8,11-13H2,1-2H3
InChIKeyCQKUSCHKTXIBLL-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.92
Rot. Bonds10

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

1-(cyclopenta-2,4-dien-1-ylmethoxy)-4-ethyloctan-2-one (PubChem CID 67371350) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1-(cyclopenta-2,4-dien-1-ylmethoxy)-4-ethyloctan-2-one.

Molecular Properties

Compound Name1-(cyclopenta-2,4-dien-1-ylmethoxy)-4-ethyloctan-2-one
PubChem CID67371350
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name1-(cyclopenta-2,4-dien-1-ylmethoxy)-4-ethyloctan-2-one
SMILESCCCCC(CC)CC(=O)COCC1C=CC=C1
InChIInChI=1S/C16H26O2/c1-3-5-8-14(4-2)11-16(17)13-18-12-15-9-6-7-10-15/h6-7,9-10,14-15H,3-5,8,11-13H2,1-2H3
InChIKeyCQKUSCHKTXIBLL-UHFFFAOYSA-N
XLogP3.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenta-2,4-dien-1-ylmethoxy)-4-ethyloctan-2-one?
The IUPAC name of 1-(cyclopenta-2,4-dien-1-ylmethoxy)-4-ethyloctan-2-one (CID 67371350) is 1-(cyclopenta-2,4-dien-1-ylmethoxy)-4-ethyloctan-2-one.
What is the SMILES notation for 1-(cyclopenta-2,4-dien-1-ylmethoxy)-4-ethyloctan-2-one?
The canonical SMILES for 1-(cyclopenta-2,4-dien-1-ylmethoxy)-4-ethyloctan-2-one is CCCCC(CC)CC(=O)COCC1C=CC=C1.
What is the InChIKey of 1-(cyclopenta-2,4-dien-1-ylmethoxy)-4-ethyloctan-2-one?
The InChIKey is CQKUSCHKTXIBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-3-5-8-14(4-2)11-16(17)13-18-12-15-9-6-7-10-15/h6-7,9-10,14-15H,3-5,8,11-13H2,1-2H3.
What are the key properties of 1-(cyclopenta-2,4-dien-1-ylmethoxy)-4-ethyloctan-2-one?
1-(cyclopenta-2,4-dien-1-ylmethoxy)-4-ethyloctan-2-one has a molecular weight of 250.38 g/mol, XLogP of 3.92, 10 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)-4-ethyloctan-2-one is sourced from PubChem (CID 67371350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).