(4Z,8Z)-12-(oxan-2-yloxy)dodeca-4,8-dien-2,6,10-triyn-1-ol

C17H18O3 — CID 10635745

IUPAC(4Z,8Z)-12-(oxan-2-yloxy)dodeca-4,8-dien-2,6,10-triyn-1-ol
SMILESOCC#C/C=C\C#C/C=C\C#CCOC1CCCCO1
InChIInChI=1S/C17H18O3/c18-14-10-7-5-3-1-2-4-6-8-11-15-19-17-13-9-12-16-20-17/h3-6,17-18H,9,12-16H2/b5-3-,6-4-
InChIKeyAWJJHNOOKHBGHA-GLIMQPGKSA-N
MW270.33 g/mol
LogP1.64
Rot. Bonds2

About (4Z,8Z)-12-(oxan-2-yloxy)dodeca-4,8-dien-2,6,10-triyn-1-ol

(4Z,8Z)-12-(oxan-2-yloxy)dodeca-4,8-dien-2,6,10-triyn-1-ol (PubChem CID 10635745) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is (4Z,8Z)-12-(oxan-2-yloxy)dodeca-4,8-dien-2,6,10-triyn-1-ol.

Molecular Properties

Compound Name(4Z,8Z)-12-(oxan-2-yloxy)dodeca-4,8-dien-2,6,10-triyn-1-ol
PubChem CID10635745
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name(4Z,8Z)-12-(oxan-2-yloxy)dodeca-4,8-dien-2,6,10-triyn-1-ol
SMILESOCC#C/C=C\C#C/C=C\C#CCOC1CCCCO1
InChIInChI=1S/C17H18O3/c18-14-10-7-5-3-1-2-4-6-8-11-15-19-17-13-9-12-16-20-17/h3-6,17-18H,9,12-16H2/b5-3-,6-4-
InChIKeyAWJJHNOOKHBGHA-GLIMQPGKSA-N
XLogP1.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4Z,8Z)-12-(oxan-2-yloxy)dodeca-4,8-dien-2,6,10-triyn-1-ol with MolForge

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Launch Full Analysis

Related Compounds

2-[(Z)-hept-4-en-2,6-diynoxy]oxane
CID 10880909
5-[(2S)-oxan-2-yl]oxypent-2-yn-1-ol
CID 99460007
(E)-8-(oxan-2-yl)oct-4-en-2,6-diyn-1-ol
CID 101032342
2-hex-2-ynoxyoxane
CID 11041365
8-(oxan-2-yloxy)oct-2-yn-1-ol
CID 20521626
2-(4-ethoxybut-2-ynoxy)oxane
CID 68529463
(4R)-4-methyl-5-(oxan-2-yloxy)pent-2-yn-1-ol
CID 130694780
(2R)-2-(6-iodohex-2-ynoxy)oxane
CID 124672395
2-(6-bromohex-2-ynoxy)oxane
CID 10801356
2-dodeca-2,7-diynoxyoxane
CID 57283725
[2-[3-(oxan-2-yloxy)prop-1-ynyl]phenyl]methanol
CID 15647828
2-(3-phenylprop-2-ynoxy)oxane
CID 11665682

Frequently Asked Questions

What is the IUPAC name of (4Z,8Z)-12-(oxan-2-yloxy)dodeca-4,8-dien-2,6,10-triyn-1-ol?
The IUPAC name of (4Z,8Z)-12-(oxan-2-yloxy)dodeca-4,8-dien-2,6,10-triyn-1-ol (CID 10635745) is (4Z,8Z)-12-(oxan-2-yloxy)dodeca-4,8-dien-2,6,10-triyn-1-ol.
What is the SMILES notation for (4Z,8Z)-12-(oxan-2-yloxy)dodeca-4,8-dien-2,6,10-triyn-1-ol?
The canonical SMILES for (4Z,8Z)-12-(oxan-2-yloxy)dodeca-4,8-dien-2,6,10-triyn-1-ol is OCC#C/C=C\C#C/C=C\C#CCOC1CCCCO1.
What is the InChIKey of (4Z,8Z)-12-(oxan-2-yloxy)dodeca-4,8-dien-2,6,10-triyn-1-ol?
The InChIKey is AWJJHNOOKHBGHA-GLIMQPGKSA-N. The full InChI is InChI=1S/C17H18O3/c18-14-10-7-5-3-1-2-4-6-8-11-15-19-17-13-9-12-16-20-17/h3-6,17-18H,9,12-16H2/b5-3-,6-4-.
What are the key properties of (4Z,8Z)-12-(oxan-2-yloxy)dodeca-4,8-dien-2,6,10-triyn-1-ol?
(4Z,8Z)-12-(oxan-2-yloxy)dodeca-4,8-dien-2,6,10-triyn-1-ol has a molecular weight of 270.33 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,8Z)-12-(oxan-2-yloxy)dodeca-4,8-dien-2,6,10-triyn-1-ol is sourced from PubChem (CID 10635745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).