[(1E)-3-chlorobuta-1,3-dienyl]cyclohexane

C10H15Cl — CID 11263757

IUPAC[(1E)-3-chlorobuta-1,3-dienyl]cyclohexane
SMILESC=C(Cl)/C=C/C1CCCCC1
InChIInChI=1S/C10H15Cl/c1-9(11)7-8-10-5-3-2-4-6-10/h7-8,10H,1-6H2/b8-7+
InChIKeyBSKSLIQRJNLVKG-BQYQJAHWSA-N
MW170.68 g/mol
LogP3.88
Rot. Bonds2

About [(1E)-3-chlorobuta-1,3-dienyl]cyclohexane

[(1E)-3-chlorobuta-1,3-dienyl]cyclohexane (PubChem CID 11263757) has the molecular formula C10H15Cl and a molecular weight of 170.68 g/mol. Its IUPAC name is [(1E)-3-chlorobuta-1,3-dienyl]cyclohexane.

Molecular Properties

Compound Name[(1E)-3-chlorobuta-1,3-dienyl]cyclohexane
PubChem CID11263757
Molecular FormulaC10H15Cl
Molecular Weight170.68 g/mol
Exact Mass170.09
IUPAC Name[(1E)-3-chlorobuta-1,3-dienyl]cyclohexane
SMILESC=C(Cl)/C=C/C1CCCCC1
InChIInChI=1S/C10H15Cl/c1-9(11)7-8-10-5-3-2-4-6-10/h7-8,10H,1-6H2/b8-7+
InChIKeyBSKSLIQRJNLVKG-BQYQJAHWSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.68
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(1E)-3-chlorobuta-1,3-dienyl]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

2-cyclohexylethenylcyclohexane
CID 4124459
3-cyclohexyl-N-hydroxyprop-2-enamide
CID 71376620
[(3E)-4-cyclohexylbuta-1,3-dien-2-yl]oxy thiohypoiodite
CID 178021325
3-cyclohexylprop-2-enamide
CID 54292987
N-cyclohexyl-3-cyclopentylprop-2-enamide
CID 141179456
(Z)-3-cyclobutylprop-2-enoic acid
CID 97289893
[(1Z,3E)-4-chlorobuta-1,3-dienyl]cyclohexane
CID 129322249
prop-1-enylcyclododecane
CID 139760926
2-iodoethenylcyclohexane
CID 71361827
(E)-2-cyclohexylethenethiol
CID 142947684
(E)-1-cyclohexylhex-1-en-3-one
CID 14869895
prop-2-enyl (E)-3-cyclopentylprop-2-enoate
CID 11687001

Frequently Asked Questions

What is the IUPAC name of [(1E)-3-chlorobuta-1,3-dienyl]cyclohexane?
The IUPAC name of [(1E)-3-chlorobuta-1,3-dienyl]cyclohexane (CID 11263757) is [(1E)-3-chlorobuta-1,3-dienyl]cyclohexane.
What is the SMILES notation for [(1E)-3-chlorobuta-1,3-dienyl]cyclohexane?
The canonical SMILES for [(1E)-3-chlorobuta-1,3-dienyl]cyclohexane is C=C(Cl)/C=C/C1CCCCC1.
What is the InChIKey of [(1E)-3-chlorobuta-1,3-dienyl]cyclohexane?
The InChIKey is BSKSLIQRJNLVKG-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H15Cl/c1-9(11)7-8-10-5-3-2-4-6-10/h7-8,10H,1-6H2/b8-7+.
What are the key properties of [(1E)-3-chlorobuta-1,3-dienyl]cyclohexane?
[(1E)-3-chlorobuta-1,3-dienyl]cyclohexane has a molecular weight of 170.68 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-3-chlorobuta-1,3-dienyl]cyclohexane is sourced from PubChem (CID 11263757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).