[(Z)-5-acetyloxy-2-methyl-7-phenylhept-2-enyl] acetate

C18H24O4 — CID 10566425

IUPAC[(Z)-5-acetyloxy-2-methyl-7-phenylhept-2-enyl] acetate
SMILESCC(=O)OC/C(C)=C\CC(CCc1ccccc1)OC(C)=O
InChIInChI=1S/C18H24O4/c1-14(13-21-15(2)19)9-11-18(22-16(3)20)12-10-17-7-5-4-6-8-17/h4-9,18H,10-13H2,1-3H3/b14-9-
InChIKeyWWPBDXQZXSZAQO-ZROIWOOFSA-N
MW304.39 g/mol
LogP3.45
Rot. Bonds8

About [(Z)-5-acetyloxy-2-methyl-7-phenylhept-2-enyl] acetate

[(Z)-5-acetyloxy-2-methyl-7-phenylhept-2-enyl] acetate (PubChem CID 10566425) has the molecular formula C18H24O4 and a molecular weight of 304.39 g/mol. Its IUPAC name is [(Z)-5-acetyloxy-2-methyl-7-phenylhept-2-enyl] acetate.

Molecular Properties

Compound Name[(Z)-5-acetyloxy-2-methyl-7-phenylhept-2-enyl] acetate
PubChem CID10566425
Molecular FormulaC18H24O4
Molecular Weight304.39 g/mol
Exact Mass304.17
IUPAC Name[(Z)-5-acetyloxy-2-methyl-7-phenylhept-2-enyl] acetate
SMILESCC(=O)OC/C(C)=C\CC(CCc1ccccc1)OC(C)=O
InChIInChI=1S/C18H24O4/c1-14(13-21-15(2)19)9-11-18(22-16(3)20)12-10-17-7-5-4-6-8-17/h4-9,18H,10-13H2,1-3H3/b14-9-
InChIKeyWWPBDXQZXSZAQO-ZROIWOOFSA-N
XLogP3.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-acetyloxy-4-phenylbutyl) acetate
CID 15049204
(9-hydroxy-1-phenylnonan-3-yl) acetate
CID 10850236
1-[(E,3R)-1-phenylhept-5-en-3-yl]oxybutyl acetate
CID 177424890
(1-acetamido-1,5-diphenylpentan-3-yl) acetate
CID 101129152
(1-acetyloxy-4-phenylbutyl) acetate
CID 15889700
5-phenylpent-1-yn-3-yl acetate
CID 10035749
2-phenylethyl acetate
CID 7654
(4-oxo-1-phenylhexan-3-yl) acetate
CID 71337403
(2-methyl-3-phenylprop-2-enyl) acetate
CID 3085847
acetyl 2-methyl-4-phenylbutanoate
CID 174376937
1-phenylhexan-3-yl hydrogen carbonate
CID 67178978
[(E)-4-(benzenesulfonyl)-2-methylbut-2-enyl] acetate
CID 13382269

Frequently Asked Questions

What is the IUPAC name of [(Z)-5-acetyloxy-2-methyl-7-phenylhept-2-enyl] acetate?
The IUPAC name of [(Z)-5-acetyloxy-2-methyl-7-phenylhept-2-enyl] acetate (CID 10566425) is [(Z)-5-acetyloxy-2-methyl-7-phenylhept-2-enyl] acetate.
What is the SMILES notation for [(Z)-5-acetyloxy-2-methyl-7-phenylhept-2-enyl] acetate?
The canonical SMILES for [(Z)-5-acetyloxy-2-methyl-7-phenylhept-2-enyl] acetate is CC(=O)OC/C(C)=C\CC(CCc1ccccc1)OC(C)=O.
What is the InChIKey of [(Z)-5-acetyloxy-2-methyl-7-phenylhept-2-enyl] acetate?
The InChIKey is WWPBDXQZXSZAQO-ZROIWOOFSA-N. The full InChI is InChI=1S/C18H24O4/c1-14(13-21-15(2)19)9-11-18(22-16(3)20)12-10-17-7-5-4-6-8-17/h4-9,18H,10-13H2,1-3H3/b14-9-.
What are the key properties of [(Z)-5-acetyloxy-2-methyl-7-phenylhept-2-enyl] acetate?
[(Z)-5-acetyloxy-2-methyl-7-phenylhept-2-enyl] acetate has a molecular weight of 304.39 g/mol, XLogP of 3.45, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-5-acetyloxy-2-methyl-7-phenylhept-2-enyl] acetate is sourced from PubChem (CID 10566425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).