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

C11H16O2 — CID 67370390

IUPAC1-(cyclopenta-2,4-dien-1-ylmethoxy)pentan-2-one
SMILESCCCC(=O)COCC1C=CC=C1
InChIInChI=1S/C11H16O2/c1-2-5-11(12)9-13-8-10-6-3-4-7-10/h3-4,6-7,10H,2,5,8-9H2,1H3
InChIKeyKZRZUDUBKVXMSC-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.11
Rot. Bonds6

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

1-(cyclopenta-2,4-dien-1-ylmethoxy)pentan-2-one (PubChem CID 67370390) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(cyclopenta-2,4-dien-1-ylmethoxy)pentan-2-one.

Molecular Properties

Compound Name1-(cyclopenta-2,4-dien-1-ylmethoxy)pentan-2-one
PubChem CID67370390
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name1-(cyclopenta-2,4-dien-1-ylmethoxy)pentan-2-one
SMILESCCCC(=O)COCC1C=CC=C1
InChIInChI=1S/C11H16O2/c1-2-5-11(12)9-13-8-10-6-3-4-7-10/h3-4,6-7,10H,2,5,8-9H2,1H3
InChIKeyKZRZUDUBKVXMSC-UHFFFAOYSA-N
XLogP2.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.11
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)pentan-2-one?
The IUPAC name of 1-(cyclopenta-2,4-dien-1-ylmethoxy)pentan-2-one (CID 67370390) is 1-(cyclopenta-2,4-dien-1-ylmethoxy)pentan-2-one.
What is the SMILES notation for 1-(cyclopenta-2,4-dien-1-ylmethoxy)pentan-2-one?
The canonical SMILES for 1-(cyclopenta-2,4-dien-1-ylmethoxy)pentan-2-one is CCCC(=O)COCC1C=CC=C1.
What is the InChIKey of 1-(cyclopenta-2,4-dien-1-ylmethoxy)pentan-2-one?
The InChIKey is KZRZUDUBKVXMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-2-5-11(12)9-13-8-10-6-3-4-7-10/h3-4,6-7,10H,2,5,8-9H2,1H3.
What are the key properties of 1-(cyclopenta-2,4-dien-1-ylmethoxy)pentan-2-one?
1-(cyclopenta-2,4-dien-1-ylmethoxy)pentan-2-one has a molecular weight of 180.25 g/mol, XLogP of 2.11, 6 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)pentan-2-one is sourced from PubChem (CID 67370390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).