[(3E)-nona-1,3-dien-2-yl]cyclohexane

C15H26 — CID 170590627

IUPAC[(3E)-nona-1,3-dien-2-yl]cyclohexane
SMILESC=C(/C=C/CCCCC)C1CCCCC1
InChIInChI=1S/C15H26/c1-3-4-5-6-8-11-14(2)15-12-9-7-10-13-15/h8,11,15H,2-7,9-10,12-13H2,1H3/b11-8+
InChIKeyNJNDAZGCIZBAJX-DHZHZOJOSA-N
MW206.37 g/mol
LogP5.26
Rot. Bonds6

About [(3E)-nona-1,3-dien-2-yl]cyclohexane

[(3E)-nona-1,3-dien-2-yl]cyclohexane (PubChem CID 170590627) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is [(3E)-nona-1,3-dien-2-yl]cyclohexane.

Molecular Properties

Compound Name[(3E)-nona-1,3-dien-2-yl]cyclohexane
PubChem CID170590627
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name[(3E)-nona-1,3-dien-2-yl]cyclohexane
SMILESC=C(/C=C/CCCCC)C1CCCCC1
InChIInChI=1S/C15H26/c1-3-4-5-6-8-11-14(2)15-12-9-7-10-13-15/h8,11,15H,2-7,9-10,12-13H2,1H3/b11-8+
InChIKeyNJNDAZGCIZBAJX-DHZHZOJOSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500206.37
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(3E)-nona-1,3-dien-2-yl]cyclohexane 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)-1-cyclohexylnon-2-en-1-one
CID 101268204
(2E,4E,12Z)-1-cyclohexyloctadeca-2,4,12-trien-1-one
CID 89061533
(3E)-2-methylhexa-1,3-diene;[(3Z)-penta-1,3-dien-2-yl]cyclohexane
CID 143467578
(3E)-2-bromonona-1,3-diene
CID 10512335
7-[(1S,2R)-2-hept-1-enylcyclopentyl]octa-5,7-dienoic acid
CID 57259279
S-cyclopentyl dec-2-enethioate
CID 76513085
cyclopentane;hept-1-ene
CID 159296541
non-1-enylcyclopentane
CID 86065492
(E)-6-methylidenetetradec-7-ene
CID 101198488
(E)-1-(azepan-1-yl)dec-2-en-1-one
CID 46935133
1-(azepan-1-yl)dec-2-en-1-one
CID 66769739
(E)-1-piperidin-1-yltridec-2-en-1-one
CID 102388697

Frequently Asked Questions

What is the IUPAC name of [(3E)-nona-1,3-dien-2-yl]cyclohexane?
The IUPAC name of [(3E)-nona-1,3-dien-2-yl]cyclohexane (CID 170590627) is [(3E)-nona-1,3-dien-2-yl]cyclohexane.
What is the SMILES notation for [(3E)-nona-1,3-dien-2-yl]cyclohexane?
The canonical SMILES for [(3E)-nona-1,3-dien-2-yl]cyclohexane is C=C(/C=C/CCCCC)C1CCCCC1.
What is the InChIKey of [(3E)-nona-1,3-dien-2-yl]cyclohexane?
The InChIKey is NJNDAZGCIZBAJX-DHZHZOJOSA-N. The full InChI is InChI=1S/C15H26/c1-3-4-5-6-8-11-14(2)15-12-9-7-10-13-15/h8,11,15H,2-7,9-10,12-13H2,1H3/b11-8+.
What are the key properties of [(3E)-nona-1,3-dien-2-yl]cyclohexane?
[(3E)-nona-1,3-dien-2-yl]cyclohexane has a molecular weight of 206.37 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-nona-1,3-dien-2-yl]cyclohexane is sourced from PubChem (CID 170590627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).