nonacos-6-ene

C29H58 — CID 25200821

IUPACnonacos-6-ene
SMILESCCCCCC=CCCCCCCCCCCCCCCCCCCCCCC
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/h11,13H,3-10,12,14-29H2,1-2H3
InChIKeySMJMXXKSNDPQLQ-UHFFFAOYSA-N
MW406.78 g/mol
LogP11.33
Rot. Bonds25

About nonacos-6-ene

nonacos-6-ene (PubChem CID 25200821) has the molecular formula C29H58 and a molecular weight of 406.78 g/mol. Its IUPAC name is nonacos-6-ene.

Molecular Properties

Compound Namenonacos-6-ene
PubChem CID25200821
Molecular FormulaC29H58
Molecular Weight406.78 g/mol
Exact Mass406.45
IUPAC Namenonacos-6-ene
SMILESCCCCCC=CCCCCCCCCCCCCCCCCCCCCCC
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/h11,13H,3-10,12,14-29H2,1-2H3
InChIKeySMJMXXKSNDPQLQ-UHFFFAOYSA-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'}

Analyze nonacos-6-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
CID 22172020
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(24Z)-hexatriaconta-9,24-diene
CID 173127472
(Z)-heptacos-11-ene
CID 56936074

Frequently Asked Questions

What is the IUPAC name of nonacos-6-ene?
The IUPAC name of nonacos-6-ene (CID 25200821) is nonacos-6-ene.
What is the SMILES notation for nonacos-6-ene?
The canonical SMILES for nonacos-6-ene is CCCCCC=CCCCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of nonacos-6-ene?
The InChIKey is SMJMXXKSNDPQLQ-UHFFFAOYSA-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/h11,13H,3-10,12,14-29H2,1-2H3.
What are the key properties of nonacos-6-ene?
nonacos-6-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 nonacos-6-ene is sourced from PubChem (CID 25200821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).