(3Z)-3-decylideneoxolan-2-one

C14H24O2 — CID 13315995

IUPAC(3Z)-3-decylideneoxolan-2-one
SMILESCCCCCCCCC/C=C1/CCOC1=O
InChIInChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-13-11-12-16-14(13)15/h10H,2-9,11-12H2,1H3/b13-10-
InChIKeyZOCVWBPUONVFHU-RAXLEYEMSA-N
MW224.34 g/mol
LogP4.00
Rot. Bonds8

About (3Z)-3-decylideneoxolan-2-one

(3Z)-3-decylideneoxolan-2-one (PubChem CID 13315995) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (3Z)-3-decylideneoxolan-2-one.

Molecular Properties

Compound Name(3Z)-3-decylideneoxolan-2-one
PubChem CID13315995
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(3Z)-3-decylideneoxolan-2-one
SMILESCCCCCCCCC/C=C1/CCOC1=O
InChIInChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-13-11-12-16-14(13)15/h10H,2-9,11-12H2,1H3/b13-10-
InChIKeyZOCVWBPUONVFHU-RAXLEYEMSA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3E,5S)-5-(hydroxymethyl)-3-[(Z)-octadec-9-enylidene]-5-[(E)-(2-oxooxolan-3-ylidene)methyl]oxolan-2-one
CID 10718802
3-octylideneoxolane-2,5-dione
CID 90776314
(2Z)-2-octylidenecyclopentan-1-one
CID 87161532
(2E)-2-octylidenecyclohexan-1-one
CID 6441359
3-hexylideneoxolane-2,5-dione
CID 153403975
(2Z)-2-heptylidenecyclopentan-1-one
CID 56924121
(3Z,5R)-3-decylidene-5-methyloxolan-2-one
CID 124636115
(3Z,5S)-3-hexylidene-5-methyloxolan-2-one
CID 58599698
(3E)-3-propylideneoxan-2-one
CID 13398830
heptadecylidenecyclopropane
CID 19760704
(3Z)-3-octylidene-4H-chromen-2-one
CID 101133440
2,6-di(pentylidene)cyclohexan-1-one
CID 70979876

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-decylideneoxolan-2-one?
The IUPAC name of (3Z)-3-decylideneoxolan-2-one (CID 13315995) is (3Z)-3-decylideneoxolan-2-one.
What is the SMILES notation for (3Z)-3-decylideneoxolan-2-one?
The canonical SMILES for (3Z)-3-decylideneoxolan-2-one is CCCCCCCCC/C=C1/CCOC1=O.
What is the InChIKey of (3Z)-3-decylideneoxolan-2-one?
The InChIKey is ZOCVWBPUONVFHU-RAXLEYEMSA-N. The full InChI is InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-13-11-12-16-14(13)15/h10H,2-9,11-12H2,1H3/b13-10-.
What are the key properties of (3Z)-3-decylideneoxolan-2-one?
(3Z)-3-decylideneoxolan-2-one has a molecular weight of 224.34 g/mol, XLogP of 4.00, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-decylideneoxolan-2-one is sourced from PubChem (CID 13315995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).