(E)-7-methyl-8-phenylmethoxyoct-6-en-2-one

C16H22O2 — CID 135033516

IUPAC(E)-7-methyl-8-phenylmethoxyoct-6-en-2-one
SMILESCC(=O)CCC/C=C(\C)COCc1ccccc1
InChIInChI=1S/C16H22O2/c1-14(8-6-7-9-15(2)17)12-18-13-16-10-4-3-5-11-16/h3-5,8,10-11H,6-7,9,12-13H2,1-2H3/b14-8+
InChIKeyMBDFXZHNOYFKTB-RIYZIHGNSA-N
MW246.35 g/mol
LogP3.91
Rot. Bonds8

About (E)-7-methyl-8-phenylmethoxyoct-6-en-2-one

(E)-7-methyl-8-phenylmethoxyoct-6-en-2-one (PubChem CID 135033516) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is (E)-7-methyl-8-phenylmethoxyoct-6-en-2-one.

Molecular Properties

Compound Name(E)-7-methyl-8-phenylmethoxyoct-6-en-2-one
PubChem CID135033516
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name(E)-7-methyl-8-phenylmethoxyoct-6-en-2-one
SMILESCC(=O)CCC/C=C(\C)COCc1ccccc1
InChIInChI=1S/C16H22O2/c1-14(8-6-7-9-15(2)17)12-18-13-16-10-4-3-5-11-16/h3-5,8,10-11H,6-7,9,12-13H2,1-2H3/b14-8+
InChIKeyMBDFXZHNOYFKTB-RIYZIHGNSA-N
XLogP3.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

[(2E)-2,7-dimethylocta-2,7-dienoxy]methylbenzene
CID 10879359
(E)-3-methyl-5-phenylmethoxypent-2-enoic acid
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2-methyl-6-phenylmethoxyhex-2-enoic acid
CID 66912433
acetic acid;phenylmethoxymethylbenzene
CID 175214238
(Z)-7-methoxy-7-phenylhept-6-en-2-one
CID 100946069
(2E,7E)-2,5,5,8-tetramethyl-9-phenylmethoxynona-2,7-dien-1-ol
CID 102004119
(E)-2-methyl-11-phenylmethoxyundec-2-enoic acid
CID 142611207
benzyl 12-oxotridecanoate
CID 21035822
6-[(4-phenylphenyl)methoxy]hexan-2-one
CID 67703506
[(E)-4-(methoxymethoxy)-3-methylbut-2-enoxy]methylbenzene
CID 11572215
[4-phenylmethoxy-3-(phenylmethoxymethyl)but-2-enyl] acetate
CID 15450715
(2E,6E)-2,6-dimethyl-8-phenylmethoxyocta-2,6-dienoic acid
CID 66896956

Frequently Asked Questions

What is the IUPAC name of (E)-7-methyl-8-phenylmethoxyoct-6-en-2-one?
The IUPAC name of (E)-7-methyl-8-phenylmethoxyoct-6-en-2-one (CID 135033516) is (E)-7-methyl-8-phenylmethoxyoct-6-en-2-one.
What is the SMILES notation for (E)-7-methyl-8-phenylmethoxyoct-6-en-2-one?
The canonical SMILES for (E)-7-methyl-8-phenylmethoxyoct-6-en-2-one is CC(=O)CCC/C=C(\C)COCc1ccccc1.
What is the InChIKey of (E)-7-methyl-8-phenylmethoxyoct-6-en-2-one?
The InChIKey is MBDFXZHNOYFKTB-RIYZIHGNSA-N. The full InChI is InChI=1S/C16H22O2/c1-14(8-6-7-9-15(2)17)12-18-13-16-10-4-3-5-11-16/h3-5,8,10-11H,6-7,9,12-13H2,1-2H3/b14-8+.
What are the key properties of (E)-7-methyl-8-phenylmethoxyoct-6-en-2-one?
(E)-7-methyl-8-phenylmethoxyoct-6-en-2-one has a molecular weight of 246.35 g/mol, XLogP of 3.91, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-methyl-8-phenylmethoxyoct-6-en-2-one is sourced from PubChem (CID 135033516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).