3-methylidene-oxacyclotetradecan-2-one

C14H24O2 — CID 14815029

IUPAC3-methylidene-oxacyclotetradecan-2-one
SMILESC=C1CCCCCCCCCCCOC1=O
InChIInChI=1S/C14H24O2/c1-13-11-9-7-5-3-2-4-6-8-10-12-16-14(13)15/h1-12H2
InChIKeyFSHPOGTVPDKYSG-UHFFFAOYSA-N
MW224.34 g/mol
LogP4.00
Rot. Bonds

About 3-methylidene-oxacyclotetradecan-2-one

3-methylidene-oxacyclotetradecan-2-one (PubChem CID 14815029) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 3-methylidene-oxacyclotetradecan-2-one.

Molecular Properties

Compound Name3-methylidene-oxacyclotetradecan-2-one
PubChem CID14815029
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name3-methylidene-oxacyclotetradecan-2-one
SMILESC=C1CCCCCCCCCCCOC1=O
InChIInChI=1S/C14H24O2/c1-13-11-9-7-5-3-2-4-6-8-10-12-16-14(13)15/h1-12H2
InChIKeyFSHPOGTVPDKYSG-UHFFFAOYSA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-methylideneoxepan-2-one
CID 13113479
3-methylideneoxan-2-one;oxan-2-one
CID 157417419
oxepane-2,3-dione
CID 14401423
1,8-dioxacyclopentadecane-2,7-dione
CID 172688052
1,6-dioxacyclotridecane-7,13-dione
CID 70450916
1,11-dioxacycloicosane-2,12-dione
CID 15642894
1,8,17-trioxacyclopentacosane-2,7-dione
CID 150130718
1,6-dioxacyclopentadecane-7,15-dione;1,6-dioxecane-2,5-dione
CID 175398471
1,5-dioxacycloheptadecan-6-one
CID 101379829
3-methylideneoxolan-2-one;pyrrole-2,5-dione
CID 157347209
1,5-dioxacycloheptadecane-2,4-dione
CID 11708817
1,5-dioxecane-2,4-dione
CID 11708136

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-oxacyclotetradecan-2-one?
The IUPAC name of 3-methylidene-oxacyclotetradecan-2-one (CID 14815029) is 3-methylidene-oxacyclotetradecan-2-one.
What is the SMILES notation for 3-methylidene-oxacyclotetradecan-2-one?
The canonical SMILES for 3-methylidene-oxacyclotetradecan-2-one is C=C1CCCCCCCCCCCOC1=O.
What is the InChIKey of 3-methylidene-oxacyclotetradecan-2-one?
The InChIKey is FSHPOGTVPDKYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-13-11-9-7-5-3-2-4-6-8-10-12-16-14(13)15/h1-12H2.
What are the key properties of 3-methylidene-oxacyclotetradecan-2-one?
3-methylidene-oxacyclotetradecan-2-one has a molecular weight of 224.34 g/mol, XLogP of 4.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-oxacyclotetradecan-2-one is sourced from PubChem (CID 14815029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).