(E)-nonacos-3-ene

C29H58 — CID 22172230

IUPAC(E)-nonacos-3-ene
SMILESCC/C=C/CCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C29H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7H,3-4,6,8-29H2,1-2H3/b7-5+
InChIKeyHIONUDPBSAEMTF-FNORWQNLSA-N
MW406.78 g/mol
LogP11.33
Rot. Bonds25

About (E)-nonacos-3-ene

(E)-nonacos-3-ene (PubChem CID 22172230) has the molecular formula C29H58 and a molecular weight of 406.78 g/mol. Its IUPAC name is (E)-nonacos-3-ene.

Molecular Properties

Compound Name(E)-nonacos-3-ene
PubChem CID22172230
Molecular FormulaC29H58
Molecular Weight406.78 g/mol
Exact Mass406.45
IUPAC Name(E)-nonacos-3-ene
SMILESCC/C=C/CCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C29H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7H,3-4,6,8-29H2,1-2H3/b7-5+
InChIKeyHIONUDPBSAEMTF-FNORWQNLSA-N
XLogP11.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds25
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.78
LogP ≤ 511.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3Z,11Z)-heptadeca-3,11-diene
CID 91750518
octacos-3-ene
CID 54171253
(Z)-tridec-3-ene
CID 5362711
(E)-octadec-3-ene
CID 5365984
(E)-heptadec-3-ene
CID 5352250
(3E,13E)-nonadeca-3,13-diene
CID 141029609
(E)-non-3-ene
CID 5364445
henicosa-3,6-diene
CID 72727393
hexadeca-3,6,9-triene
CID 56627141
(3Z,12Z,15Z)-tricosa-3,12,15-triene
CID 174109859
(3Z,6Z,9Z,12Z)-henicosa-3,6,9,12-tetraene
CID 158472719
magnesium;(Z)-non-3-ene;dichloride
CID 174157517

Frequently Asked Questions

What is the IUPAC name of (E)-nonacos-3-ene?
The IUPAC name of (E)-nonacos-3-ene (CID 22172230) is (E)-nonacos-3-ene.
What is the SMILES notation for (E)-nonacos-3-ene?
The canonical SMILES for (E)-nonacos-3-ene is CC/C=C/CCCCCCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of (E)-nonacos-3-ene?
The InChIKey is HIONUDPBSAEMTF-FNORWQNLSA-N. The full InChI is InChI=1S/C29H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7H,3-4,6,8-29H2,1-2H3/b7-5+.
What are the key properties of (E)-nonacos-3-ene?
(E)-nonacos-3-ene has a molecular weight of 406.78 g/mol, XLogP of 11.33, 25 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-nonacos-3-ene is sourced from PubChem (CID 22172230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).