(3R)-3-[(1E,3E)-penta-1,3-dienyl]cyclohexene

C11H16 — CID 101128048

IUPAC(3R)-3-[(1E,3E)-penta-1,3-dienyl]cyclohexene
SMILESC/C=C/C=C/[C@H]1C=CCCC1
InChIInChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h2-3,5-6,8-9,11H,4,7,10H2,1H3/b3-2+,8-5+/t11-/m0/s1
InChIKeyMYMYTIFYNJRKLE-RDWSQXBLSA-N
MW148.25 g/mol
LogP3.47
Rot. Bonds2

About (3R)-3-[(1E,3E)-penta-1,3-dienyl]cyclohexene

(3R)-3-[(1E,3E)-penta-1,3-dienyl]cyclohexene (PubChem CID 101128048) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is (3R)-3-[(1E,3E)-penta-1,3-dienyl]cyclohexene.

Molecular Properties

Compound Name(3R)-3-[(1E,3E)-penta-1,3-dienyl]cyclohexene
PubChem CID101128048
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name(3R)-3-[(1E,3E)-penta-1,3-dienyl]cyclohexene
SMILESC/C=C/C=C/[C@H]1C=CCCC1
InChIInChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h2-3,5-6,8-9,11H,4,7,10H2,1H3/b3-2+,8-5+/t11-/m0/s1
InChIKeyMYMYTIFYNJRKLE-RDWSQXBLSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-prop-1-enylcyclohexene
CID 152698334
3-[(E)-hex-1-enyl]cyclohexene
CID 5358331
3-[(Z)-hex-1-enyl]cyclohexene
CID 177486047
5-[(3Z)-penta-1,3-dienyl]cyclohexa-1,3-diene
CID 143896906
3-[(E)-oct-1-enyl]cyclohexene
CID 12576320
3-[(E)-2-iodoethenyl]cyclopentene
CID 142638500
1-cyclohex-2-en-1-ylbut-2-en-1-ol
CID 163436872
[(E)-5-[(1S)-cyclohex-2-en-1-yl]pent-4-enoxy]methylbenzene
CID 135034391
(3S)-3-[(1R)-cyclohex-2-en-1-yl]cyclohexene
CID 95564793
ethane;3-methylcyclohexene
CID 145337562
7-[(E)-prop-1-enyl]-2,3,4,7-tetrahydro-1H-azepine
CID 170098821
but-2-ene;cyclohexene
CID 157160535

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(1E,3E)-penta-1,3-dienyl]cyclohexene?
The IUPAC name of (3R)-3-[(1E,3E)-penta-1,3-dienyl]cyclohexene (CID 101128048) is (3R)-3-[(1E,3E)-penta-1,3-dienyl]cyclohexene.
What is the SMILES notation for (3R)-3-[(1E,3E)-penta-1,3-dienyl]cyclohexene?
The canonical SMILES for (3R)-3-[(1E,3E)-penta-1,3-dienyl]cyclohexene is C/C=C/C=C/[C@H]1C=CCCC1.
What is the InChIKey of (3R)-3-[(1E,3E)-penta-1,3-dienyl]cyclohexene?
The InChIKey is MYMYTIFYNJRKLE-RDWSQXBLSA-N. The full InChI is InChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h2-3,5-6,8-9,11H,4,7,10H2,1H3/b3-2+,8-5+/t11-/m0/s1.
What are the key properties of (3R)-3-[(1E,3E)-penta-1,3-dienyl]cyclohexene?
(3R)-3-[(1E,3E)-penta-1,3-dienyl]cyclohexene has a molecular weight of 148.25 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(1E,3E)-penta-1,3-dienyl]cyclohexene is sourced from PubChem (CID 101128048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).