1-chloro-4,5-diethoxy-2-hex-5-en-3-ylbenzene

C16H23ClO2 — CID 83943763

IUPAC1-chloro-4,5-diethoxy-2-hex-5-en-3-ylbenzene
SMILESC=CCC(CC)c1cc(OCC)c(OCC)cc1Cl
InChIInChI=1S/C16H23ClO2/c1-5-9-12(6-2)13-10-15(18-7-3)16(19-8-4)11-14(13)17/h5,10-12H,1,6-9H2,2-4H3
InChIKeyDLIOPCCWDBPAEK-UHFFFAOYSA-N
MW282.81 g/mol
LogP5.21
Rot. Bonds8

About 1-chloro-4,5-diethoxy-2-hex-5-en-3-ylbenzene

1-chloro-4,5-diethoxy-2-hex-5-en-3-ylbenzene (PubChem CID 83943763) has the molecular formula C16H23ClO2 and a molecular weight of 282.81 g/mol. Its IUPAC name is 1-chloro-4,5-diethoxy-2-hex-5-en-3-ylbenzene.

Molecular Properties

Compound Name1-chloro-4,5-diethoxy-2-hex-5-en-3-ylbenzene
PubChem CID83943763
Molecular FormulaC16H23ClO2
Molecular Weight282.81 g/mol
Exact Mass282.14
IUPAC Name1-chloro-4,5-diethoxy-2-hex-5-en-3-ylbenzene
SMILESC=CCC(CC)c1cc(OCC)c(OCC)cc1Cl
InChIInChI=1S/C16H23ClO2/c1-5-9-12(6-2)13-10-15(18-7-3)16(19-8-4)11-14(13)17/h5,10-12H,1,6-9H2,2-4H3
InChIKeyDLIOPCCWDBPAEK-UHFFFAOYSA-N
XLogP5.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.81
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-1-[(3S)-hex-5-en-3-yl]benzene
CID 124548037
1-ethoxy-2-hex-5-en-3-yl-4-methylbenzene
CID 83933692
2-ethoxy-6-hex-5-en-3-ylphenol
CID 83930785
1-but-3-enyl-2-chloro-4,5-diethoxybenzene
CID 83943749
1-chloro-2-(1-chloro-3-methylpentyl)-4,5-diethoxybenzene
CID 114876048
4-[2-(2-chloro-4,5-diethoxyphenyl)butyl]-2H-triazole
CID 112719703
1-(4-chloro-2,5-diethoxyphenyl)propan-1-ol
CID 82268035
5-chloro-1-hex-5-en-3-yl-2-methoxy-3-propan-2-ylbenzene
CID 83938767
1-hex-5-en-3-yl-2-methoxybenzene
CID 83929060
1-chloro-4,5-diethoxy-2-(2-methylbut-3-enyl)benzene
CID 83943768
1-(1-bromo-2-cyclopropylethyl)-2-chloro-4,5-diethoxybenzene
CID 63444637
4-hex-5-en-3-yl-1,2-dipropoxybenzene
CID 83932033

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4,5-diethoxy-2-hex-5-en-3-ylbenzene?
The IUPAC name of 1-chloro-4,5-diethoxy-2-hex-5-en-3-ylbenzene (CID 83943763) is 1-chloro-4,5-diethoxy-2-hex-5-en-3-ylbenzene.
What is the SMILES notation for 1-chloro-4,5-diethoxy-2-hex-5-en-3-ylbenzene?
The canonical SMILES for 1-chloro-4,5-diethoxy-2-hex-5-en-3-ylbenzene is C=CCC(CC)c1cc(OCC)c(OCC)cc1Cl.
What is the InChIKey of 1-chloro-4,5-diethoxy-2-hex-5-en-3-ylbenzene?
The InChIKey is DLIOPCCWDBPAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClO2/c1-5-9-12(6-2)13-10-15(18-7-3)16(19-8-4)11-14(13)17/h5,10-12H,1,6-9H2,2-4H3.
What are the key properties of 1-chloro-4,5-diethoxy-2-hex-5-en-3-ylbenzene?
1-chloro-4,5-diethoxy-2-hex-5-en-3-ylbenzene has a molecular weight of 282.81 g/mol, XLogP of 5.21, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4,5-diethoxy-2-hex-5-en-3-ylbenzene is sourced from PubChem (CID 83943763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).