1-[(Z)-hex-4-en-2-yl]-2-methyl-4-propoxybenzene

C16H24O — CID 83936914

IUPAC1-[(Z)-hex-4-en-2-yl]-2-methyl-4-propoxybenzene
SMILESC/C=C\CC(C)c1ccc(OCCC)cc1C
InChIInChI=1S/C16H24O/c1-5-7-8-13(3)16-10-9-15(12-14(16)4)17-11-6-2/h5,7,9-10,12-13H,6,8,11H2,1-4H3/b7-5-
InChIKeyOTZIBJKBIIRWME-ALCCZGGFSA-N
MW232.37 g/mol
LogP4.85
Rot. Bonds6

About 1-[(Z)-hex-4-en-2-yl]-2-methyl-4-propoxybenzene

1-[(Z)-hex-4-en-2-yl]-2-methyl-4-propoxybenzene (PubChem CID 83936914) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-[(Z)-hex-4-en-2-yl]-2-methyl-4-propoxybenzene.

Molecular Properties

Compound Name1-[(Z)-hex-4-en-2-yl]-2-methyl-4-propoxybenzene
PubChem CID83936914
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name1-[(Z)-hex-4-en-2-yl]-2-methyl-4-propoxybenzene
SMILESC/C=C\CC(C)c1ccc(OCCC)cc1C
InChIInChI=1S/C16H24O/c1-5-7-8-13(3)16-10-9-15(12-14(16)4)17-11-6-2/h5,7,9-10,12-13H,6,8,11H2,1-4H3/b7-5-
InChIKeyOTZIBJKBIIRWME-ALCCZGGFSA-N
XLogP4.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethyl-4-propoxybenzene
CID 23549082
1-[(Z)-hex-4-en-2-yl]-4-hexoxybenzene
CID 83932735
2-hex-4-en-2-yl-1-methyl-4-(trifluoromethoxy)benzene
CID 123806348
1-(4-bromobutan-2-yl)-4-ethoxy-2-methylbenzene
CID 83936582
2-[2-(2-methyl-4-propoxyphenyl)butyl]propane-1,3-diamine
CID 83936840
2,4-diamino-1-(2-methyl-4-propoxyphenyl)butan-1-ol
CID 83936851
butyl-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]azanium
CID 2581324
3-(3-methyl-4-propan-2-ylphenoxy)propan-1-ol
CID 43509991
1-(2,4-dipropoxyphenyl)ethanol
CID 82263776
3-(3-methyl-4-propan-2-ylphenoxy)propanoic acid
CID 16773331
5-(3-methyl-4-propan-2-ylphenoxy)-N-propylpentan-1-amine
CID 63498576
ethane;1-(3-methylbutoxy)-3-propoxybenzene
CID 170603501

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-hex-4-en-2-yl]-2-methyl-4-propoxybenzene?
The IUPAC name of 1-[(Z)-hex-4-en-2-yl]-2-methyl-4-propoxybenzene (CID 83936914) is 1-[(Z)-hex-4-en-2-yl]-2-methyl-4-propoxybenzene.
What is the SMILES notation for 1-[(Z)-hex-4-en-2-yl]-2-methyl-4-propoxybenzene?
The canonical SMILES for 1-[(Z)-hex-4-en-2-yl]-2-methyl-4-propoxybenzene is C/C=C\CC(C)c1ccc(OCCC)cc1C.
What is the InChIKey of 1-[(Z)-hex-4-en-2-yl]-2-methyl-4-propoxybenzene?
The InChIKey is OTZIBJKBIIRWME-ALCCZGGFSA-N. The full InChI is InChI=1S/C16H24O/c1-5-7-8-13(3)16-10-9-15(12-14(16)4)17-11-6-2/h5,7,9-10,12-13H,6,8,11H2,1-4H3/b7-5-.
What are the key properties of 1-[(Z)-hex-4-en-2-yl]-2-methyl-4-propoxybenzene?
1-[(Z)-hex-4-en-2-yl]-2-methyl-4-propoxybenzene has a molecular weight of 232.37 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-hex-4-en-2-yl]-2-methyl-4-propoxybenzene is sourced from PubChem (CID 83936914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).