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

C17H28O2 — CID 67370983

IUPAC1-(cyclopenta-2,4-dien-1-ylmethoxy)undecan-2-one
SMILESCCCCCCCCCC(=O)COCC1C=CC=C1
InChIInChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-13-17(18)15-19-14-16-11-9-10-12-16/h9-12,16H,2-8,13-15H2,1H3
InChIKeyYYBMBRSDROIPRL-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.45
Rot. Bonds12

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

1-(cyclopenta-2,4-dien-1-ylmethoxy)undecan-2-one (PubChem CID 67370983) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(cyclopenta-2,4-dien-1-ylmethoxy)undecan-2-one.

Molecular Properties

Compound Name1-(cyclopenta-2,4-dien-1-ylmethoxy)undecan-2-one
PubChem CID67370983
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name1-(cyclopenta-2,4-dien-1-ylmethoxy)undecan-2-one
SMILESCCCCCCCCCC(=O)COCC1C=CC=C1
InChIInChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-13-17(18)15-19-14-16-11-9-10-12-16/h9-12,16H,2-8,13-15H2,1H3
InChIKeyYYBMBRSDROIPRL-UHFFFAOYSA-N
XLogP4.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.45
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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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenta-2,4-dien-1-ylmethoxy)undecan-2-one?
The IUPAC name of 1-(cyclopenta-2,4-dien-1-ylmethoxy)undecan-2-one (CID 67370983) is 1-(cyclopenta-2,4-dien-1-ylmethoxy)undecan-2-one.
What is the SMILES notation for 1-(cyclopenta-2,4-dien-1-ylmethoxy)undecan-2-one?
The canonical SMILES for 1-(cyclopenta-2,4-dien-1-ylmethoxy)undecan-2-one is CCCCCCCCCC(=O)COCC1C=CC=C1.
What is the InChIKey of 1-(cyclopenta-2,4-dien-1-ylmethoxy)undecan-2-one?
The InChIKey is YYBMBRSDROIPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-13-17(18)15-19-14-16-11-9-10-12-16/h9-12,16H,2-8,13-15H2,1H3.
What are the key properties of 1-(cyclopenta-2,4-dien-1-ylmethoxy)undecan-2-one?
1-(cyclopenta-2,4-dien-1-ylmethoxy)undecan-2-one has a molecular weight of 264.41 g/mol, XLogP of 4.45, 12 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)undecan-2-one is sourced from PubChem (CID 67370983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).