[(1E,3E)-5-(2-methoxypropan-2-yloxy)penta-1,3-dienyl]cyclohexane

C15H26O2 — CID 11253413

IUPAC[(1E,3E)-5-(2-methoxypropan-2-yloxy)penta-1,3-dienyl]cyclohexane
SMILESCOC(C)(C)OC/C=C/C=C/C1CCCCC1
InChIInChI=1S/C15H26O2/c1-15(2,16-3)17-13-9-5-8-12-14-10-6-4-7-11-14/h5,8-9,12,14H,4,6-7,10-11,13H2,1-3H3/b9-5+,12-8+
InChIKeyRRPPRDHIFBOKLV-PIHCAMFYSA-N
MW238.37 g/mol
LogP4.08
Rot. Bonds6

About [(1E,3E)-5-(2-methoxypropan-2-yloxy)penta-1,3-dienyl]cyclohexane

[(1E,3E)-5-(2-methoxypropan-2-yloxy)penta-1,3-dienyl]cyclohexane (PubChem CID 11253413) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is [(1E,3E)-5-(2-methoxypropan-2-yloxy)penta-1,3-dienyl]cyclohexane.

Molecular Properties

Compound Name[(1E,3E)-5-(2-methoxypropan-2-yloxy)penta-1,3-dienyl]cyclohexane
PubChem CID11253413
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name[(1E,3E)-5-(2-methoxypropan-2-yloxy)penta-1,3-dienyl]cyclohexane
SMILESCOC(C)(C)OC/C=C/C=C/C1CCCCC1
InChIInChI=1S/C15H26O2/c1-15(2,16-3)17-13-9-5-8-12-14-10-6-4-7-11-14/h5,8-9,12,14H,4,6-7,10-11,13H2,1-3H3/b9-5+,12-8+
InChIKeyRRPPRDHIFBOKLV-PIHCAMFYSA-N
XLogP4.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[(2E,4E)-5-cyclohexylpenta-2,4-dienyl] acetate
CID 15327120
(2E,4E)-5-cyclohexylpenta-2,4-dien-1-ol
CID 15237283
(2E,4E)-1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diene
CID 5365097
[(1Z,3E)-4-chlorobuta-1,3-dienyl]cyclohexane
CID 129322249
[(E)-but-1-enyl]cyclodecane
CID 173272598
2-cyclohexylethenylcyclohexane
CID 4124459
3-cyclohexylprop-2-enal
CID 54063598
2-[(2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoxy]oxane
CID 14026777
4-chlorobut-1-enylcyclohexane
CID 72770329
3-cycloheptylprop-2-enoxy(diethoxy)silane
CID 154099248
[(1E,3E,5Z)-4-methoxyhepta-1,3,5-trienyl]cyclohexane
CID 130256816
prop-1-enylcyclododecane
CID 139760926

Frequently Asked Questions

What is the IUPAC name of [(1E,3E)-5-(2-methoxypropan-2-yloxy)penta-1,3-dienyl]cyclohexane?
The IUPAC name of [(1E,3E)-5-(2-methoxypropan-2-yloxy)penta-1,3-dienyl]cyclohexane (CID 11253413) is [(1E,3E)-5-(2-methoxypropan-2-yloxy)penta-1,3-dienyl]cyclohexane.
What is the SMILES notation for [(1E,3E)-5-(2-methoxypropan-2-yloxy)penta-1,3-dienyl]cyclohexane?
The canonical SMILES for [(1E,3E)-5-(2-methoxypropan-2-yloxy)penta-1,3-dienyl]cyclohexane is COC(C)(C)OC/C=C/C=C/C1CCCCC1.
What is the InChIKey of [(1E,3E)-5-(2-methoxypropan-2-yloxy)penta-1,3-dienyl]cyclohexane?
The InChIKey is RRPPRDHIFBOKLV-PIHCAMFYSA-N. The full InChI is InChI=1S/C15H26O2/c1-15(2,16-3)17-13-9-5-8-12-14-10-6-4-7-11-14/h5,8-9,12,14H,4,6-7,10-11,13H2,1-3H3/b9-5+,12-8+.
What are the key properties of [(1E,3E)-5-(2-methoxypropan-2-yloxy)penta-1,3-dienyl]cyclohexane?
[(1E,3E)-5-(2-methoxypropan-2-yloxy)penta-1,3-dienyl]cyclohexane has a molecular weight of 238.37 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3E)-5-(2-methoxypropan-2-yloxy)penta-1,3-dienyl]cyclohexane is sourced from PubChem (CID 11253413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).