(5R)-5-[(1E,3E)-dodeca-1,3-dienyl]-5-methyl-3-methylideneoxolan-2-one

C18H28O2 — CID 11437352

IUPAC(5R)-5-[(1E,3E)-dodeca-1,3-dienyl]-5-methyl-3-methylideneoxolan-2-one
SMILESC=C1C[C@](C)(/C=C/C=C/CCCCCCCC)OC1=O
InChIInChI=1S/C18H28O2/c1-4-5-6-7-8-9-10-11-12-13-14-18(3)15-16(2)17(19)20-18/h11-14H,2,4-10,15H2,1,3H3/b12-11+,14-13+/t18-/m0/s1
InChIKeyCIUVHSRFRVWPDP-MRTQUTMJSA-N
MW276.42 g/mol
LogP5.11
Rot. Bonds9

About (5R)-5-[(1E,3E)-dodeca-1,3-dienyl]-5-methyl-3-methylideneoxolan-2-one

(5R)-5-[(1E,3E)-dodeca-1,3-dienyl]-5-methyl-3-methylideneoxolan-2-one (PubChem CID 11437352) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is (5R)-5-[(1E,3E)-dodeca-1,3-dienyl]-5-methyl-3-methylideneoxolan-2-one.

Molecular Properties

Compound Name(5R)-5-[(1E,3E)-dodeca-1,3-dienyl]-5-methyl-3-methylideneoxolan-2-one
PubChem CID11437352
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name(5R)-5-[(1E,3E)-dodeca-1,3-dienyl]-5-methyl-3-methylideneoxolan-2-one
SMILESC=C1C[C@](C)(/C=C/C=C/CCCCCCCC)OC1=O
InChIInChI=1S/C18H28O2/c1-4-5-6-7-8-9-10-11-12-13-14-18(3)15-16(2)17(19)20-18/h11-14H,2,4-10,15H2,1,3H3/b12-11+,14-13+/t18-/m0/s1
InChIKeyCIUVHSRFRVWPDP-MRTQUTMJSA-N
XLogP5.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.42
LogP ≤ 55.11
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Plakolide A
CID 641587
fluoro (5S)-5-[(1E,3E)-hexa-1,3-dienyl]-5-methyl-4-methylidene-2-[(E)-prop-1-enyl]furan-3-carboxylate
CID 166126848
methyl (2Z)-2-(9,10-diethyl-7-oxo-6-oxaspiro[4.5]dec-9-en-8-ylidene)acetate
CID 101543550
5-Ethenyl-3-methylidene-5-(4-methylpent-3-enyl)oxolan-2-one
CID 134865717
3-Prop-1-en-2-yl-1-oxaspiro[4.5]deca-3,6-dien-2-one
CID 138976854
5-[(1E,3E)-dodeca-1,3-dienyl]-5-methyl-3-methylideneoxolan-2-one
CID 11608815
5-Dodeca-1,3-dienyl-5-methyl-3-methylideneoxolan-2-one
CID 20979960
1,1-Di(cyclopenta-1,3-dien-1-yl)ethyl 2-methylprop-2-enoate
CID 23200398
3a-dodec-1-enyl-4H-2-benzofuran-1,3-dione
CID 53647957
(4E)-4-butylidene-5,5-dimethyl-3-methylideneoxolan-2-one
CID 118343830
[3-ethenyl-1,4,4-trimethyl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl] 2-methylprop-2-enoate
CID 134170354
(3Z)-5-methyl-3-[(Z)-undec-2-enylidene]oxolan-2-one
CID 134224529

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(1E,3E)-dodeca-1,3-dienyl]-5-methyl-3-methylideneoxolan-2-one?
The IUPAC name of (5R)-5-[(1E,3E)-dodeca-1,3-dienyl]-5-methyl-3-methylideneoxolan-2-one (CID 11437352) is (5R)-5-[(1E,3E)-dodeca-1,3-dienyl]-5-methyl-3-methylideneoxolan-2-one.
What is the SMILES notation for (5R)-5-[(1E,3E)-dodeca-1,3-dienyl]-5-methyl-3-methylideneoxolan-2-one?
The canonical SMILES for (5R)-5-[(1E,3E)-dodeca-1,3-dienyl]-5-methyl-3-methylideneoxolan-2-one is C=C1C[C@](C)(/C=C/C=C/CCCCCCCC)OC1=O.
What is the InChIKey of (5R)-5-[(1E,3E)-dodeca-1,3-dienyl]-5-methyl-3-methylideneoxolan-2-one?
The InChIKey is CIUVHSRFRVWPDP-MRTQUTMJSA-N. The full InChI is InChI=1S/C18H28O2/c1-4-5-6-7-8-9-10-11-12-13-14-18(3)15-16(2)17(19)20-18/h11-14H,2,4-10,15H2,1,3H3/b12-11+,14-13+/t18-/m0/s1.
What are the key properties of (5R)-5-[(1E,3E)-dodeca-1,3-dienyl]-5-methyl-3-methylideneoxolan-2-one?
(5R)-5-[(1E,3E)-dodeca-1,3-dienyl]-5-methyl-3-methylideneoxolan-2-one has a molecular weight of 276.42 g/mol, XLogP of 5.11, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1E,3E)-dodeca-1,3-dienyl]-5-methyl-3-methylideneoxolan-2-one is sourced from PubChem (CID 11437352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).