[(E,4R)-4-methyloct-5-enoxy]methylbenzene

C16H24O — CID 102424556

IUPAC[(E,4R)-4-methyloct-5-enoxy]methylbenzene
SMILESCC/C=C/[C@H](C)CCCOCc1ccccc1
InChIInChI=1S/C16H24O/c1-3-4-9-15(2)10-8-13-17-14-16-11-6-5-7-12-16/h4-7,9,11-12,15H,3,8,10,13-14H2,1-2H3/b9-4+/t15-/m0/s1
InChIKeyUQVHXCYZVFZOMB-ULYATVDSSA-N
MW232.37 g/mol
LogP4.59
Rot. Bonds8

About [(E,4R)-4-methyloct-5-enoxy]methylbenzene

[(E,4R)-4-methyloct-5-enoxy]methylbenzene (PubChem CID 102424556) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is [(E,4R)-4-methyloct-5-enoxy]methylbenzene.

Molecular Properties

Compound Name[(E,4R)-4-methyloct-5-enoxy]methylbenzene
PubChem CID102424556
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name[(E,4R)-4-methyloct-5-enoxy]methylbenzene
SMILESCC/C=C/[C@H](C)CCCOCc1ccccc1
InChIInChI=1S/C16H24O/c1-3-4-9-15(2)10-8-13-17-14-16-11-6-5-7-12-16/h4-7,9,11-12,15H,3,8,10,13-14H2,1-2H3/b9-4+/t15-/m0/s1
InChIKeyUQVHXCYZVFZOMB-ULYATVDSSA-N
XLogP4.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

(2S)-2-methyl-5-phenylmethoxypentanal
CID 11218003
3-methyl-6-phenylmethoxyhexan-2-amine
CID 130588586
4-methyl-7-phenylmethoxyheptan-1-ol
CID 142091030
(2R)-6-phenylmethoxyhexan-2-ol
CID 50901799
butoxymethylbenzene;ethane
CID 145341806
(4-chloro-6-methylheptoxy)methylbenzene
CID 130537115
3-methyl-6-phenylmethoxyhexan-2-one
CID 15686946
(4S)-6-methyl-1-phenylmethoxyheptan-4-ol
CID 11322322
(3-methyl-4-phenylbutoxy)methylbenzene
CID 86049172
(6-bromo-5-methylhexoxy)methylbenzene
CID 130588716
[(E,2R)-5-bromo-2-methylpent-3-enoxy]methylbenzene
CID 135014115
(Z,4S)-4-methyl-5-phenylmethoxypent-2-en-1-ol
CID 13182140

Frequently Asked Questions

What is the IUPAC name of [(E,4R)-4-methyloct-5-enoxy]methylbenzene?
The IUPAC name of [(E,4R)-4-methyloct-5-enoxy]methylbenzene (CID 102424556) is [(E,4R)-4-methyloct-5-enoxy]methylbenzene.
What is the SMILES notation for [(E,4R)-4-methyloct-5-enoxy]methylbenzene?
The canonical SMILES for [(E,4R)-4-methyloct-5-enoxy]methylbenzene is CC/C=C/[C@H](C)CCCOCc1ccccc1.
What is the InChIKey of [(E,4R)-4-methyloct-5-enoxy]methylbenzene?
The InChIKey is UQVHXCYZVFZOMB-ULYATVDSSA-N. The full InChI is InChI=1S/C16H24O/c1-3-4-9-15(2)10-8-13-17-14-16-11-6-5-7-12-16/h4-7,9,11-12,15H,3,8,10,13-14H2,1-2H3/b9-4+/t15-/m0/s1.
What are the key properties of [(E,4R)-4-methyloct-5-enoxy]methylbenzene?
[(E,4R)-4-methyloct-5-enoxy]methylbenzene has a molecular weight of 232.37 g/mol, XLogP of 4.59, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,4R)-4-methyloct-5-enoxy]methylbenzene is sourced from PubChem (CID 102424556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).