[(3S,4E)-undeca-1,4-dien-3-yl]cyclohexane

C17H30 — CID 101458379

IUPAC[(3S,4E)-undeca-1,4-dien-3-yl]cyclohexane
SMILESC=C[C@H](/C=C/CCCCCC)C1CCCCC1
InChIInChI=1S/C17H30/c1-3-5-6-7-8-10-13-16(4-2)17-14-11-9-12-15-17/h4,10,13,16-17H,2-3,5-9,11-12,14-15H2,1H3/b13-10+/t16-/m1/s1
InChIKeyOXOYOIOTRFIBBH-QSOAKEGCSA-N
MW234.43 g/mol
LogP5.90
Rot. Bonds8

About [(3S,4E)-undeca-1,4-dien-3-yl]cyclohexane

[(3S,4E)-undeca-1,4-dien-3-yl]cyclohexane (PubChem CID 101458379) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is [(3S,4E)-undeca-1,4-dien-3-yl]cyclohexane.

Molecular Properties

Compound Name[(3S,4E)-undeca-1,4-dien-3-yl]cyclohexane
PubChem CID101458379
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name[(3S,4E)-undeca-1,4-dien-3-yl]cyclohexane
SMILESC=C[C@H](/C=C/CCCCCC)C1CCCCC1
InChIInChI=1S/C17H30/c1-3-5-6-7-8-10-13-16(4-2)17-14-11-9-12-15-17/h4,10,13,16-17H,2-3,5-9,11-12,14-15H2,1H3/b13-10+/t16-/m1/s1
InChIKeyOXOYOIOTRFIBBH-QSOAKEGCSA-N
XLogP5.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 55.90
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

1-[(E)-1-cyclohexylnon-2-enyl]pyrrole
CID 73456673
1-oct-1-enoxypropylcyclohexane
CID 57124495
(3S,4Z)-undeca-1,4-dien-3-ol
CID 129408350
1-cyclohexylheptylcyclohexane
CID 16404
1-cycloheptyldecylcycloheptane
CID 20559033
non-1-enylcyclopentane
CID 86065492
9-methyloctadec-10-enylcyclobutane
CID 123534586
hexadecan-8-ylcyclohexane
CID 91510029
butan-2-ylcyclohexane;heptane
CID 143477095
cyclopentane;hept-1-ene
CID 159296541
tetrakis[(E)-hept-1-enyl]phosphanium
CID 118306753
[(E)-oct-2-en-4-yl]cyclohexane
CID 134979965

Frequently Asked Questions

What is the IUPAC name of [(3S,4E)-undeca-1,4-dien-3-yl]cyclohexane?
The IUPAC name of [(3S,4E)-undeca-1,4-dien-3-yl]cyclohexane (CID 101458379) is [(3S,4E)-undeca-1,4-dien-3-yl]cyclohexane.
What is the SMILES notation for [(3S,4E)-undeca-1,4-dien-3-yl]cyclohexane?
The canonical SMILES for [(3S,4E)-undeca-1,4-dien-3-yl]cyclohexane is C=C[C@H](/C=C/CCCCCC)C1CCCCC1.
What is the InChIKey of [(3S,4E)-undeca-1,4-dien-3-yl]cyclohexane?
The InChIKey is OXOYOIOTRFIBBH-QSOAKEGCSA-N. The full InChI is InChI=1S/C17H30/c1-3-5-6-7-8-10-13-16(4-2)17-14-11-9-12-15-17/h4,10,13,16-17H,2-3,5-9,11-12,14-15H2,1H3/b13-10+/t16-/m1/s1.
What are the key properties of [(3S,4E)-undeca-1,4-dien-3-yl]cyclohexane?
[(3S,4E)-undeca-1,4-dien-3-yl]cyclohexane has a molecular weight of 234.43 g/mol, XLogP of 5.90, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4E)-undeca-1,4-dien-3-yl]cyclohexane is sourced from PubChem (CID 101458379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).