(2Z,4Z,7Z)-5-ethenyl-3-methoxydodeca-2,4,7-trien-2-ol

C15H24O2 — CID 142520586

IUPAC(2Z,4Z,7Z)-5-ethenyl-3-methoxydodeca-2,4,7-trien-2-ol
SMILESC=C/C(=C\C(OC)=C(/C)O)C/C=C\CCCC
InChIInChI=1S/C15H24O2/c1-5-7-8-9-10-11-14(6-2)12-15(17-4)13(3)16/h6,9-10,12,16H,2,5,7-8,11H2,1,3-4H3/b10-9-,14-12+,15-13-
InChIKeyGFGILYOAENTADU-NDXGLMGLSA-N
MW236.35 g/mol
LogP4.67
Rot. Bonds8

About (2Z,4Z,7Z)-5-ethenyl-3-methoxydodeca-2,4,7-trien-2-ol

(2Z,4Z,7Z)-5-ethenyl-3-methoxydodeca-2,4,7-trien-2-ol (PubChem CID 142520586) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (2Z,4Z,7Z)-5-ethenyl-3-methoxydodeca-2,4,7-trien-2-ol.

Molecular Properties

Compound Name(2Z,4Z,7Z)-5-ethenyl-3-methoxydodeca-2,4,7-trien-2-ol
PubChem CID142520586
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(2Z,4Z,7Z)-5-ethenyl-3-methoxydodeca-2,4,7-trien-2-ol
SMILESC=C/C(=C\C(OC)=C(/C)O)C/C=C\CCCC
InChIInChI=1S/C15H24O2/c1-5-7-8-9-10-11-14(6-2)12-15(17-4)13(3)16/h6,9-10,12,16H,2,5,7-8,11H2,1,3-4H3/b10-9-,14-12+,15-13-
InChIKeyGFGILYOAENTADU-NDXGLMGLSA-N
XLogP4.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

methyl (Z)-hexadec-3-enoate
CID 91746830
methyl tridec-3-enoate
CID 72597559
silylsilane;1,1,2-trimethoxynona-1,4-diene
CID 161049583
acetic acid;(8Z)-tetradeca-1,8-diene
CID 175396356
(Z)-dec-5-ene;hex-1-ene
CID 141304086
docos-5-ene
CID 54227700
nonadec-5-ene
CID 543596
hexadec-6-ene;hex-1-ene
CID 158850904
acetic acid;(E)-tetradec-7-ene
CID 174697247
[(Z)-dodec-7-enyl] prop-2-enoate
CID 171776211
methyl (3E,6E)-octadeca-3,6-dienoate
CID 14122947
ethenyl (E)-tetradec-3-enoate
CID 141056005

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,7Z)-5-ethenyl-3-methoxydodeca-2,4,7-trien-2-ol?
The IUPAC name of (2Z,4Z,7Z)-5-ethenyl-3-methoxydodeca-2,4,7-trien-2-ol (CID 142520586) is (2Z,4Z,7Z)-5-ethenyl-3-methoxydodeca-2,4,7-trien-2-ol.
What is the SMILES notation for (2Z,4Z,7Z)-5-ethenyl-3-methoxydodeca-2,4,7-trien-2-ol?
The canonical SMILES for (2Z,4Z,7Z)-5-ethenyl-3-methoxydodeca-2,4,7-trien-2-ol is C=C/C(=C\C(OC)=C(/C)O)C/C=C\CCCC.
What is the InChIKey of (2Z,4Z,7Z)-5-ethenyl-3-methoxydodeca-2,4,7-trien-2-ol?
The InChIKey is GFGILYOAENTADU-NDXGLMGLSA-N. The full InChI is InChI=1S/C15H24O2/c1-5-7-8-9-10-11-14(6-2)12-15(17-4)13(3)16/h6,9-10,12,16H,2,5,7-8,11H2,1,3-4H3/b10-9-,14-12+,15-13-.
What are the key properties of (2Z,4Z,7Z)-5-ethenyl-3-methoxydodeca-2,4,7-trien-2-ol?
(2Z,4Z,7Z)-5-ethenyl-3-methoxydodeca-2,4,7-trien-2-ol has a molecular weight of 236.35 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,7Z)-5-ethenyl-3-methoxydodeca-2,4,7-trien-2-ol is sourced from PubChem (CID 142520586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).