5-dodecyl-3-methylideneoxolan-2-one

C17H30O2 — CID 134865716

IUPAC5-dodecyl-3-methylideneoxolan-2-one
SMILESC=C1CC(CCCCCCCCCCCC)OC1=O
InChIInChI=1S/C17H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14-15(2)17(18)19-16/h16H,2-14H2,1H3
InChIKeySLXIWQAQPNNHLP-UHFFFAOYSA-N
MW266.42 g/mol
LogP5.17
Rot. Bonds11

About 5-dodecyl-3-methylideneoxolan-2-one

5-dodecyl-3-methylideneoxolan-2-one (PubChem CID 134865716) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 5-dodecyl-3-methylideneoxolan-2-one.

Molecular Properties

Compound Name5-dodecyl-3-methylideneoxolan-2-one
PubChem CID134865716
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name5-dodecyl-3-methylideneoxolan-2-one
SMILESC=C1CC(CCCCCCCCCCCC)OC1=O
InChIInChI=1S/C17H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14-15(2)17(18)19-16/h16H,2-14H2,1H3
InChIKeySLXIWQAQPNNHLP-UHFFFAOYSA-N
XLogP5.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.42
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3aR,6E,10E,14E,15aS)-6,10,14-trimethyl-3-methylidene-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-2-one
CID 10040485
5-Ethyl-3-methylene-dihydro-furan-2-one
CID 10725353
5-Butyl-3-methylideneoxolan-2-one
CID 10820778
3-Methylidene-5-tridecyloxolan-2-one
CID 118708706
4-Ethyl-3-methylidene-5-tridecyloxolan-2-one
CID 118708707
2(3H)-Furanone, dihydro-3-methylene-5-pentyl-
CID 10583238
3-Methylidene-5-undecyloxolan-2-one
CID 44265392
5,5'-(Propane-1,3-diyl)bis(3-methylideneoxolan-2-one)
CID 307266
5,5'-(Butane-1,4-diyl)bis(3-methylideneoxolan-2-one)
CID 307267
5,5'-(Pentane-1,5-diyl)bis(3-methylideneoxolan-2-one)
CID 307268
5,5'-(Hexane-1,6-diyl)bis(3-methylideneoxolan-2-one)
CID 307269
(3aS,6E,10E,14E,15aS)-6,10,14-trimethyl-3-methylidene-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-2-one
CID 13919668

Frequently Asked Questions

What is the IUPAC name of 5-dodecyl-3-methylideneoxolan-2-one?
The IUPAC name of 5-dodecyl-3-methylideneoxolan-2-one (CID 134865716) is 5-dodecyl-3-methylideneoxolan-2-one.
What is the SMILES notation for 5-dodecyl-3-methylideneoxolan-2-one?
The canonical SMILES for 5-dodecyl-3-methylideneoxolan-2-one is C=C1CC(CCCCCCCCCCCC)OC1=O.
What is the InChIKey of 5-dodecyl-3-methylideneoxolan-2-one?
The InChIKey is SLXIWQAQPNNHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14-15(2)17(18)19-16/h16H,2-14H2,1H3.
What are the key properties of 5-dodecyl-3-methylideneoxolan-2-one?
5-dodecyl-3-methylideneoxolan-2-one has a molecular weight of 266.42 g/mol, XLogP of 5.17, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dodecyl-3-methylideneoxolan-2-one is sourced from PubChem (CID 134865716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).