(6Z,8E)-3-methyl-1-(oxan-2-yloxy)deca-6,8-dien-4-yn-3-ol

C16H24O3 — CID 100971905

IUPAC(6Z,8E)-3-methyl-1-(oxan-2-yloxy)deca-6,8-dien-4-yn-3-ol
SMILESC/C=C/C=C\C#CC(C)(O)CCOC1CCCCO1
InChIInChI=1S/C16H24O3/c1-3-4-5-6-8-11-16(2,17)12-14-19-15-10-7-9-13-18-15/h3-6,15,17H,7,9-10,12-14H2,1-2H3/b4-3+,6-5-
InChIKeySDZRNUAYPHCSPG-ICWBMWKASA-N
MW264.37 g/mol
LogP2.81
Rot. Bonds5

About (6Z,8E)-3-methyl-1-(oxan-2-yloxy)deca-6,8-dien-4-yn-3-ol

(6Z,8E)-3-methyl-1-(oxan-2-yloxy)deca-6,8-dien-4-yn-3-ol (PubChem CID 100971905) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is (6Z,8E)-3-methyl-1-(oxan-2-yloxy)deca-6,8-dien-4-yn-3-ol.

Molecular Properties

Compound Name(6Z,8E)-3-methyl-1-(oxan-2-yloxy)deca-6,8-dien-4-yn-3-ol
PubChem CID100971905
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name(6Z,8E)-3-methyl-1-(oxan-2-yloxy)deca-6,8-dien-4-yn-3-ol
SMILESC/C=C/C=C\C#CC(C)(O)CCOC1CCCCO1
InChIInChI=1S/C16H24O3/c1-3-4-5-6-8-11-16(2,17)12-14-19-15-10-7-9-13-18-15/h3-6,15,17H,7,9-10,12-14H2,1-2H3/b4-3+,6-5-
InChIKeySDZRNUAYPHCSPG-ICWBMWKASA-N
XLogP2.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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)-3-methyl-1-(oxan-2-yloxy)deca-6,8-dien-4-yn-3-ol?
The IUPAC name of (6Z,8E)-3-methyl-1-(oxan-2-yloxy)deca-6,8-dien-4-yn-3-ol (CID 100971905) is (6Z,8E)-3-methyl-1-(oxan-2-yloxy)deca-6,8-dien-4-yn-3-ol.
What is the SMILES notation for (6Z,8E)-3-methyl-1-(oxan-2-yloxy)deca-6,8-dien-4-yn-3-ol?
The canonical SMILES for (6Z,8E)-3-methyl-1-(oxan-2-yloxy)deca-6,8-dien-4-yn-3-ol is C/C=C/C=C\C#CC(C)(O)CCOC1CCCCO1.
What is the InChIKey of (6Z,8E)-3-methyl-1-(oxan-2-yloxy)deca-6,8-dien-4-yn-3-ol?
The InChIKey is SDZRNUAYPHCSPG-ICWBMWKASA-N. The full InChI is InChI=1S/C16H24O3/c1-3-4-5-6-8-11-16(2,17)12-14-19-15-10-7-9-13-18-15/h3-6,15,17H,7,9-10,12-14H2,1-2H3/b4-3+,6-5-.
What are the key properties of (6Z,8E)-3-methyl-1-(oxan-2-yloxy)deca-6,8-dien-4-yn-3-ol?
(6Z,8E)-3-methyl-1-(oxan-2-yloxy)deca-6,8-dien-4-yn-3-ol has a molecular weight of 264.37 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8E)-3-methyl-1-(oxan-2-yloxy)deca-6,8-dien-4-yn-3-ol is sourced from PubChem (CID 100971905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).