[(2Z,4E,6Z,8E)-cyclonona-2,4,6,8-tetraen-1-yl]methyl acetate

C12H14O2 — CID 121011443

IUPAC[(2Z,4E,6Z,8E)-cyclonona-2,4,6,8-tetraen-1-yl]methyl acetate
SMILESCC(=O)OCC1/C=C\C=C\C=C/C=C/1
InChIInChI=1S/C12H14O2/c1-11(13)14-10-12-8-6-4-2-3-5-7-9-12/h2-9,12H,10H2,1H3/b4-2-,5-3+,8-6+,9-7-
InChIKeyUYKAJFAMMDIYJR-UKZJMPQRSA-N
MW190.24 g/mol
LogP2.40
Rot. Bonds2

About [(2Z,4E,6Z,8E)-cyclonona-2,4,6,8-tetraen-1-yl]methyl acetate

[(2Z,4E,6Z,8E)-cyclonona-2,4,6,8-tetraen-1-yl]methyl acetate (PubChem CID 121011443) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is [(2Z,4E,6Z,8E)-cyclonona-2,4,6,8-tetraen-1-yl]methyl acetate.

Molecular Properties

Compound Name[(2Z,4E,6Z,8E)-cyclonona-2,4,6,8-tetraen-1-yl]methyl acetate
PubChem CID121011443
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name[(2Z,4E,6Z,8E)-cyclonona-2,4,6,8-tetraen-1-yl]methyl acetate
SMILESCC(=O)OCC1/C=C\C=C\C=C/C=C/1
InChIInChI=1S/C12H14O2/c1-11(13)14-10-12-8-6-4-2-3-5-7-9-12/h2-9,12H,10H2,1H3/b4-2-,5-3+,8-6+,9-7-
InChIKeyUYKAJFAMMDIYJR-UKZJMPQRSA-N
XLogP2.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(2Z,4E,6Z,8E)-cyclonona-2,4,6,8-tetraen-1-yl]methyl acetate with MolForge

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Related Compounds

2-cyclohepta-2,4,6-trien-1-ylacetamide
CID 55288601
cyclopropylmethyl acetate
CID 538333
[(2S,3R,6R,7R,9S,10R)-10-(acetyloxymethyl)-9-pentacyclo[4.4.0.02,4.03,8.05,7]decanyl]methyl acetate
CID 100895939
[(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]methyl acetate
CID 10877544
[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]methyl acetate
CID 15273291
[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl acetate
CID 101050885
(2-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)methyl acetate
CID 58434810
ethyl N-(cyclohepta-2,4,6-trien-1-ylmethyl)carbamate
CID 165351766
(4-hydroxyoxetan-2-yl)methyl acetate
CID 67977653
[(2S)-4-hydroxyoxetan-2-yl]methyl acetate
CID 67977655
[(2R,3R,4R)-3,4-dihydroxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 14308101
(5,6-dimethyloxan-2-yl)methyl acetate
CID 164565040

Frequently Asked Questions

What is the IUPAC name of [(2Z,4E,6Z,8E)-cyclonona-2,4,6,8-tetraen-1-yl]methyl acetate?
The IUPAC name of [(2Z,4E,6Z,8E)-cyclonona-2,4,6,8-tetraen-1-yl]methyl acetate (CID 121011443) is [(2Z,4E,6Z,8E)-cyclonona-2,4,6,8-tetraen-1-yl]methyl acetate.
What is the SMILES notation for [(2Z,4E,6Z,8E)-cyclonona-2,4,6,8-tetraen-1-yl]methyl acetate?
The canonical SMILES for [(2Z,4E,6Z,8E)-cyclonona-2,4,6,8-tetraen-1-yl]methyl acetate is CC(=O)OCC1/C=C\C=C\C=C/C=C/1.
What is the InChIKey of [(2Z,4E,6Z,8E)-cyclonona-2,4,6,8-tetraen-1-yl]methyl acetate?
The InChIKey is UYKAJFAMMDIYJR-UKZJMPQRSA-N. The full InChI is InChI=1S/C12H14O2/c1-11(13)14-10-12-8-6-4-2-3-5-7-9-12/h2-9,12H,10H2,1H3/b4-2-,5-3+,8-6+,9-7-.
What are the key properties of [(2Z,4E,6Z,8E)-cyclonona-2,4,6,8-tetraen-1-yl]methyl acetate?
[(2Z,4E,6Z,8E)-cyclonona-2,4,6,8-tetraen-1-yl]methyl acetate has a molecular weight of 190.24 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,4E,6Z,8E)-cyclonona-2,4,6,8-tetraen-1-yl]methyl acetate is sourced from PubChem (CID 121011443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).