[(Z,3R)-1-phenyloct-1-en-3-yl] formate

C15H20O2 — CID 124646763

IUPAC[(Z,3R)-1-phenyloct-1-en-3-yl] formate
SMILESCCCCC[C@H](/C=C\c1ccccc1)OC=O
InChIInChI=1S/C15H20O2/c1-2-3-5-10-15(17-13-16)12-11-14-8-6-4-7-9-14/h4,6-9,11-13,15H,2-3,5,10H2,1H3/b12-11-/t15-/m1/s1
InChIKeyPULNKJHBRAQWEJ-QYMJWVLRSA-N
MW232.32 g/mol
LogP3.82
Rot. Bonds8

About [(Z,3R)-1-phenyloct-1-en-3-yl] formate

[(Z,3R)-1-phenyloct-1-en-3-yl] formate (PubChem CID 124646763) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is [(Z,3R)-1-phenyloct-1-en-3-yl] formate.

Molecular Properties

Compound Name[(Z,3R)-1-phenyloct-1-en-3-yl] formate
PubChem CID124646763
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name[(Z,3R)-1-phenyloct-1-en-3-yl] formate
SMILESCCCCC[C@H](/C=C\c1ccccc1)OC=O
InChIInChI=1S/C15H20O2/c1-2-3-5-10-15(17-13-16)12-11-14-8-6-4-7-9-14/h4,6-9,11-13,15H,2-3,5,10H2,1H3/b12-11-/t15-/m1/s1
InChIKeyPULNKJHBRAQWEJ-QYMJWVLRSA-N
XLogP3.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-[(E)-1-hydroxy-3-phenylprop-2-enyl]octanoic acid
CID 146374482
[(E)-3-methylhept-1-enyl]benzene
CID 12949923
(E)-2-(dibutylamino)-4-phenylbut-3-enal
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1-phenylpentyl formate
CID 54289292
2-phenoxyundecanal
CID 57130450
1-(4-phenylsulfanylphenyl)octyl formate
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(2-ethyl-1-phenylheptyl) formate
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3-methoxypent-1-enylbenzene
CID 71364960

Frequently Asked Questions

What is the IUPAC name of [(Z,3R)-1-phenyloct-1-en-3-yl] formate?
The IUPAC name of [(Z,3R)-1-phenyloct-1-en-3-yl] formate (CID 124646763) is [(Z,3R)-1-phenyloct-1-en-3-yl] formate.
What is the SMILES notation for [(Z,3R)-1-phenyloct-1-en-3-yl] formate?
The canonical SMILES for [(Z,3R)-1-phenyloct-1-en-3-yl] formate is CCCCC[C@H](/C=C\c1ccccc1)OC=O.
What is the InChIKey of [(Z,3R)-1-phenyloct-1-en-3-yl] formate?
The InChIKey is PULNKJHBRAQWEJ-QYMJWVLRSA-N. The full InChI is InChI=1S/C15H20O2/c1-2-3-5-10-15(17-13-16)12-11-14-8-6-4-7-9-14/h4,6-9,11-13,15H,2-3,5,10H2,1H3/b12-11-/t15-/m1/s1.
What are the key properties of [(Z,3R)-1-phenyloct-1-en-3-yl] formate?
[(Z,3R)-1-phenyloct-1-en-3-yl] formate has a molecular weight of 232.32 g/mol, XLogP of 3.82, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,3R)-1-phenyloct-1-en-3-yl] formate is sourced from PubChem (CID 124646763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).