[(3R)-hexa-1,5-dien-3-yl]cyclohexane

C12H20 — CID 134852665

IUPAC[(3R)-hexa-1,5-dien-3-yl]cyclohexane
SMILESC=CC[C@H](C=C)C1CCCCC1
InChIInChI=1S/C12H20/c1-3-8-11(4-2)12-9-6-5-7-10-12/h3-4,11-12H,1-2,5-10H2/t11-/m0/s1
InChIKeyCMGIUXHIZVCAEG-NSHDSACASA-N
MW164.29 g/mol
LogP3.94
Rot. Bonds4

About [(3R)-hexa-1,5-dien-3-yl]cyclohexane

[(3R)-hexa-1,5-dien-3-yl]cyclohexane (PubChem CID 134852665) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is [(3R)-hexa-1,5-dien-3-yl]cyclohexane.

Molecular Properties

Compound Name[(3R)-hexa-1,5-dien-3-yl]cyclohexane
PubChem CID134852665
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name[(3R)-hexa-1,5-dien-3-yl]cyclohexane
SMILESC=CC[C@H](C=C)C1CCCCC1
InChIInChI=1S/C12H20/c1-3-8-11(4-2)12-9-6-5-7-10-12/h3-4,11-12H,1-2,5-10H2/t11-/m0/s1
InChIKeyCMGIUXHIZVCAEG-NSHDSACASA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(3R)-hexa-1,5-dien-3-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

CID 96529
CID 96529
CID 12757
CID 12757
CID 75027
CID 75027
CID 12097469
CID 12097469
CID 93331
CID 93331
CID 521957
CID 521957
CID 545635
CID 545635
CID 41077
CID 41077
CID 517973
CID 517973
CID 522552
CID 522552
CID 522554
CID 522554
CID 572166
CID 572166

Frequently Asked Questions

What is the IUPAC name of [(3R)-hexa-1,5-dien-3-yl]cyclohexane?
The IUPAC name of [(3R)-hexa-1,5-dien-3-yl]cyclohexane (CID 134852665) is [(3R)-hexa-1,5-dien-3-yl]cyclohexane.
What is the SMILES notation for [(3R)-hexa-1,5-dien-3-yl]cyclohexane?
The canonical SMILES for [(3R)-hexa-1,5-dien-3-yl]cyclohexane is C=CC[C@H](C=C)C1CCCCC1.
What is the InChIKey of [(3R)-hexa-1,5-dien-3-yl]cyclohexane?
The InChIKey is CMGIUXHIZVCAEG-NSHDSACASA-N. The full InChI is InChI=1S/C12H20/c1-3-8-11(4-2)12-9-6-5-7-10-12/h3-4,11-12H,1-2,5-10H2/t11-/m0/s1.
What are the key properties of [(3R)-hexa-1,5-dien-3-yl]cyclohexane?
[(3R)-hexa-1,5-dien-3-yl]cyclohexane has a molecular weight of 164.29 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-hexa-1,5-dien-3-yl]cyclohexane is sourced from PubChem (CID 134852665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).