(4R,5E,11E)-trideca-5,11-dien-7,9-diyn-4-ol

C13H16O — CID 101424593

IUPAC(4R,5E,11E)-trideca-5,11-dien-7,9-diyn-4-ol
SMILESC/C=C/C#CC#C/C=C/[C@H](O)CCC
InChIInChI=1S/C13H16O/c1-3-5-6-7-8-9-10-12-13(14)11-4-2/h3,5,10,12-14H,4,11H2,1-2H3/b5-3+,12-10+/t13-/m1/s1
InChIKeyGEENZQOWBUUIOA-DJCVSYIJSA-N
MW188.27 g/mol
LogP2.29
Rot. Bonds3

About (4R,5E,11E)-trideca-5,11-dien-7,9-diyn-4-ol

(4R,5E,11E)-trideca-5,11-dien-7,9-diyn-4-ol (PubChem CID 101424593) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is (4R,5E,11E)-trideca-5,11-dien-7,9-diyn-4-ol.

Molecular Properties

Compound Name(4R,5E,11E)-trideca-5,11-dien-7,9-diyn-4-ol
PubChem CID101424593
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name(4R,5E,11E)-trideca-5,11-dien-7,9-diyn-4-ol
SMILESC/C=C/C#CC#C/C=C/[C@H](O)CCC
InChIInChI=1S/C13H16O/c1-3-5-6-7-8-9-10-12-13(14)11-4-2/h3,5,10,12-14H,4,11H2,1-2H3/b5-3+,12-10+/t13-/m1/s1
InChIKeyGEENZQOWBUUIOA-DJCVSYIJSA-N
XLogP2.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 25265910
2-Octen-4-ol, (2E)-
CID 5366203
3-Octen-2-ol
CID 42538
Oenanthotoxin
CID 44138996
Ipsdienol
CID 92301
Undeca-1,5-dien-3-ol
CID 53981988
Bupleurotoxin
CID 44613554
3-Octen-2-ol, (3E)-
CID 5358336
2-Methyl-6-methylene-2,7-octadien-4-ol
CID 85734
(4R)-2-methyl-6-methylideneocta-2,7-dien-4-ol
CID 181296
Virol B
CID 10753985
2-Cyclopentene-1-ol
CID 220164

Frequently Asked Questions

What is the IUPAC name of (4R,5E,11E)-trideca-5,11-dien-7,9-diyn-4-ol?
The IUPAC name of (4R,5E,11E)-trideca-5,11-dien-7,9-diyn-4-ol (CID 101424593) is (4R,5E,11E)-trideca-5,11-dien-7,9-diyn-4-ol.
What is the SMILES notation for (4R,5E,11E)-trideca-5,11-dien-7,9-diyn-4-ol?
The canonical SMILES for (4R,5E,11E)-trideca-5,11-dien-7,9-diyn-4-ol is C/C=C/C#CC#C/C=C/[C@H](O)CCC.
What is the InChIKey of (4R,5E,11E)-trideca-5,11-dien-7,9-diyn-4-ol?
The InChIKey is GEENZQOWBUUIOA-DJCVSYIJSA-N. The full InChI is InChI=1S/C13H16O/c1-3-5-6-7-8-9-10-12-13(14)11-4-2/h3,5,10,12-14H,4,11H2,1-2H3/b5-3+,12-10+/t13-/m1/s1.
What are the key properties of (4R,5E,11E)-trideca-5,11-dien-7,9-diyn-4-ol?
(4R,5E,11E)-trideca-5,11-dien-7,9-diyn-4-ol has a molecular weight of 188.27 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5E,11E)-trideca-5,11-dien-7,9-diyn-4-ol is sourced from PubChem (CID 101424593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).