(2R,3E,11E)-2-methoxytrideca-3,11-dien-5,7,9-triyn-1-ol

C14H14O2 — CID 101352147

IUPAC(2R,3E,11E)-2-methoxytrideca-3,11-dien-5,7,9-triyn-1-ol
SMILESC/C=C/C#CC#CC#C/C=C/[C@H](CO)OC
InChIInChI=1S/C14H14O2/c1-3-4-5-6-7-8-9-10-11-12-14(13-15)16-2/h3-4,11-12,14-15H,13H2,1-2H3/b4-3+,12-11+/t14-/m1/s1
InChIKeyITRUOZXYBLGQBS-DZLRQWJPSA-N
MW214.26 g/mol
LogP1.14
Rot. Bonds3

About (2R,3E,11E)-2-methoxytrideca-3,11-dien-5,7,9-triyn-1-ol

(2R,3E,11E)-2-methoxytrideca-3,11-dien-5,7,9-triyn-1-ol (PubChem CID 101352147) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is (2R,3E,11E)-2-methoxytrideca-3,11-dien-5,7,9-triyn-1-ol.

Molecular Properties

Compound Name(2R,3E,11E)-2-methoxytrideca-3,11-dien-5,7,9-triyn-1-ol
PubChem CID101352147
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name(2R,3E,11E)-2-methoxytrideca-3,11-dien-5,7,9-triyn-1-ol
SMILESC/C=C/C#CC#CC#C/C=C/[C@H](CO)OC
InChIInChI=1S/C14H14O2/c1-3-4-5-6-7-8-9-10-11-12-14(13-15)16-2/h3-4,11-12,14-15H,13H2,1-2H3/b4-3+,12-11+/t14-/m1/s1
InChIKeyITRUOZXYBLGQBS-DZLRQWJPSA-N
XLogP1.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3E,11E)-2-methoxytrideca-3,11-dien-5,7,9-triyn-1-ol?
The IUPAC name of (2R,3E,11E)-2-methoxytrideca-3,11-dien-5,7,9-triyn-1-ol (CID 101352147) is (2R,3E,11E)-2-methoxytrideca-3,11-dien-5,7,9-triyn-1-ol.
What is the SMILES notation for (2R,3E,11E)-2-methoxytrideca-3,11-dien-5,7,9-triyn-1-ol?
The canonical SMILES for (2R,3E,11E)-2-methoxytrideca-3,11-dien-5,7,9-triyn-1-ol is C/C=C/C#CC#CC#C/C=C/[C@H](CO)OC.
What is the InChIKey of (2R,3E,11E)-2-methoxytrideca-3,11-dien-5,7,9-triyn-1-ol?
The InChIKey is ITRUOZXYBLGQBS-DZLRQWJPSA-N. The full InChI is InChI=1S/C14H14O2/c1-3-4-5-6-7-8-9-10-11-12-14(13-15)16-2/h3-4,11-12,14-15H,13H2,1-2H3/b4-3+,12-11+/t14-/m1/s1.
What are the key properties of (2R,3E,11E)-2-methoxytrideca-3,11-dien-5,7,9-triyn-1-ol?
(2R,3E,11E)-2-methoxytrideca-3,11-dien-5,7,9-triyn-1-ol has a molecular weight of 214.26 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3E,11E)-2-methoxytrideca-3,11-dien-5,7,9-triyn-1-ol is sourced from PubChem (CID 101352147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).