(6Z,8E)-1-(oxan-2-yloxy)deca-6,8-dien-4-yn-1-ol

C15H22O3 — CID 100971908

IUPAC(6Z,8E)-1-(oxan-2-yloxy)deca-6,8-dien-4-yn-1-ol
SMILESC/C=C/C=C\C#CCCC(O)OC1CCCCO1
InChIInChI=1S/C15H22O3/c1-2-3-4-5-6-7-8-11-14(16)18-15-12-9-10-13-17-15/h2-5,14-16H,8-13H2,1H3/b3-2+,5-4-
InChIKeyRLYWOBILXPCJIU-IAROGAJJSA-N
MW250.34 g/mol
LogP2.76
Rot. Bonds5

About (6Z,8E)-1-(oxan-2-yloxy)deca-6,8-dien-4-yn-1-ol

(6Z,8E)-1-(oxan-2-yloxy)deca-6,8-dien-4-yn-1-ol (PubChem CID 100971908) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (6Z,8E)-1-(oxan-2-yloxy)deca-6,8-dien-4-yn-1-ol.

Molecular Properties

Compound Name(6Z,8E)-1-(oxan-2-yloxy)deca-6,8-dien-4-yn-1-ol
PubChem CID100971908
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(6Z,8E)-1-(oxan-2-yloxy)deca-6,8-dien-4-yn-1-ol
SMILESC/C=C/C=C\C#CCCC(O)OC1CCCCO1
InChIInChI=1S/C15H22O3/c1-2-3-4-5-6-7-8-11-14(16)18-15-12-9-10-13-17-15/h2-5,14-16H,8-13H2,1H3/b3-2+,5-4-
InChIKeyRLYWOBILXPCJIU-IAROGAJJSA-N
XLogP2.76
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6Z,8E)-1-(oxan-2-yloxy)deca-6,8-dien-4-yn-1-ol?
The IUPAC name of (6Z,8E)-1-(oxan-2-yloxy)deca-6,8-dien-4-yn-1-ol (CID 100971908) is (6Z,8E)-1-(oxan-2-yloxy)deca-6,8-dien-4-yn-1-ol.
What is the SMILES notation for (6Z,8E)-1-(oxan-2-yloxy)deca-6,8-dien-4-yn-1-ol?
The canonical SMILES for (6Z,8E)-1-(oxan-2-yloxy)deca-6,8-dien-4-yn-1-ol is C/C=C/C=C\C#CCCC(O)OC1CCCCO1.
What is the InChIKey of (6Z,8E)-1-(oxan-2-yloxy)deca-6,8-dien-4-yn-1-ol?
The InChIKey is RLYWOBILXPCJIU-IAROGAJJSA-N. The full InChI is InChI=1S/C15H22O3/c1-2-3-4-5-6-7-8-11-14(16)18-15-12-9-10-13-17-15/h2-5,14-16H,8-13H2,1H3/b3-2+,5-4-.
What are the key properties of (6Z,8E)-1-(oxan-2-yloxy)deca-6,8-dien-4-yn-1-ol?
(6Z,8E)-1-(oxan-2-yloxy)deca-6,8-dien-4-yn-1-ol has a molecular weight of 250.34 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8E)-1-(oxan-2-yloxy)deca-6,8-dien-4-yn-1-ol is sourced from PubChem (CID 100971908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).