(2Z,4E)-3-decoxytricosa-2,4-diene

C33H64O — CID 140668539

IUPAC(2Z,4E)-3-decoxytricosa-2,4-diene
SMILESC/C=C(/C=C/CCCCCCCCCCCCCCCCCC)OCCCCCCCCCC
InChIInChI=1S/C33H64O/c1-4-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-27-29-31-33(6-3)34-32-30-28-26-14-12-10-8-5-2/h6,29,31H,4-5,7-28,30,32H2,1-3H3/b31-29+,33-6-
InChIKeyYKNFAYMPXZVDQD-PXDOOMQKSA-N
MW476.87 g/mol
LogP12.26
Rot. Bonds28

About (2Z,4E)-3-decoxytricosa-2,4-diene

(2Z,4E)-3-decoxytricosa-2,4-diene (PubChem CID 140668539) has the molecular formula C33H64O and a molecular weight of 476.87 g/mol. Its IUPAC name is (2Z,4E)-3-decoxytricosa-2,4-diene.

Molecular Properties

Compound Name(2Z,4E)-3-decoxytricosa-2,4-diene
PubChem CID140668539
Molecular FormulaC33H64O
Molecular Weight476.87 g/mol
Exact Mass476.50
IUPAC Name(2Z,4E)-3-decoxytricosa-2,4-diene
SMILESC/C=C(/C=C/CCCCCCCCCCCCCCCCCC)OCCCCCCCCCC
InChIInChI=1S/C33H64O/c1-4-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-27-29-31-33(6-3)34-32-30-28-26-14-12-10-8-5-2/h6,29,31H,4-5,7-28,30,32H2,1-3H3/b31-29+,33-6-
InChIKeyYKNFAYMPXZVDQD-PXDOOMQKSA-N
XLogP12.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds28
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.87
LogP ≤ 512.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-3-decoxytricosa-2,4-diene?
The IUPAC name of (2Z,4E)-3-decoxytricosa-2,4-diene (CID 140668539) is (2Z,4E)-3-decoxytricosa-2,4-diene.
What is the SMILES notation for (2Z,4E)-3-decoxytricosa-2,4-diene?
The canonical SMILES for (2Z,4E)-3-decoxytricosa-2,4-diene is C/C=C(/C=C/CCCCCCCCCCCCCCCCCC)OCCCCCCCCCC.
What is the InChIKey of (2Z,4E)-3-decoxytricosa-2,4-diene?
The InChIKey is YKNFAYMPXZVDQD-PXDOOMQKSA-N. The full InChI is InChI=1S/C33H64O/c1-4-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-27-29-31-33(6-3)34-32-30-28-26-14-12-10-8-5-2/h6,29,31H,4-5,7-28,30,32H2,1-3H3/b31-29+,33-6-.
What are the key properties of (2Z,4E)-3-decoxytricosa-2,4-diene?
(2Z,4E)-3-decoxytricosa-2,4-diene has a molecular weight of 476.87 g/mol, XLogP of 12.26, 28 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-3-decoxytricosa-2,4-diene is sourced from PubChem (CID 140668539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).