(6E,8E)-1-(oxan-2-yloxy)deca-6,8-dien-5-one

C15H24O3 — CID 23643948

IUPAC(6E,8E)-1-(oxan-2-yloxy)deca-6,8-dien-5-one
SMILESC/C=C/C=C/C(=O)CCCCOC1CCCCO1
InChIInChI=1S/C15H24O3/c1-2-3-4-9-14(16)10-5-7-12-17-15-11-6-8-13-18-15/h2-4,9,15H,5-8,10-13H2,1H3/b3-2+,9-4+
InChIKeyNTKQSKXRRCANPJ-DSXPNFDZSA-N
MW252.35 g/mol
LogP3.40
Rot. Bonds8

About (6E,8E)-1-(oxan-2-yloxy)deca-6,8-dien-5-one

(6E,8E)-1-(oxan-2-yloxy)deca-6,8-dien-5-one (PubChem CID 23643948) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (6E,8E)-1-(oxan-2-yloxy)deca-6,8-dien-5-one.

Molecular Properties

Compound Name(6E,8E)-1-(oxan-2-yloxy)deca-6,8-dien-5-one
PubChem CID23643948
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(6E,8E)-1-(oxan-2-yloxy)deca-6,8-dien-5-one
SMILESC/C=C/C=C/C(=O)CCCCOC1CCCCO1
InChIInChI=1S/C15H24O3/c1-2-3-4-9-14(16)10-5-7-12-17-15-11-6-8-13-18-15/h2-4,9,15H,5-8,10-13H2,1H3/b3-2+,9-4+
InChIKeyNTKQSKXRRCANPJ-DSXPNFDZSA-N
XLogP3.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6E,8E)-1-(oxan-2-yloxy)deca-6,8-dien-5-one?
The IUPAC name of (6E,8E)-1-(oxan-2-yloxy)deca-6,8-dien-5-one (CID 23643948) is (6E,8E)-1-(oxan-2-yloxy)deca-6,8-dien-5-one.
What is the SMILES notation for (6E,8E)-1-(oxan-2-yloxy)deca-6,8-dien-5-one?
The canonical SMILES for (6E,8E)-1-(oxan-2-yloxy)deca-6,8-dien-5-one is C/C=C/C=C/C(=O)CCCCOC1CCCCO1.
What is the InChIKey of (6E,8E)-1-(oxan-2-yloxy)deca-6,8-dien-5-one?
The InChIKey is NTKQSKXRRCANPJ-DSXPNFDZSA-N. The full InChI is InChI=1S/C15H24O3/c1-2-3-4-9-14(16)10-5-7-12-17-15-11-6-8-13-18-15/h2-4,9,15H,5-8,10-13H2,1H3/b3-2+,9-4+.
What are the key properties of (6E,8E)-1-(oxan-2-yloxy)deca-6,8-dien-5-one?
(6E,8E)-1-(oxan-2-yloxy)deca-6,8-dien-5-one has a molecular weight of 252.35 g/mol, XLogP of 3.40, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8E)-1-(oxan-2-yloxy)deca-6,8-dien-5-one is sourced from PubChem (CID 23643948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).