1-chloro-4-ethoxy-2,5-dimethyl-3-[(Z)-oct-5-en-3-yl]benzene

C18H27ClO — CID 83940652

IUPAC1-chloro-4-ethoxy-2,5-dimethyl-3-[(Z)-oct-5-en-3-yl]benzene
SMILESCC/C=C\CC(CC)c1c(C)c(Cl)cc(C)c1OCC
InChIInChI=1S/C18H27ClO/c1-6-9-10-11-15(7-2)17-14(5)16(19)12-13(4)18(17)20-8-3/h9-10,12,15H,6-8,11H2,1-5H3/b10-9-
InChIKeyKETSOMOYBKDTKO-KTKRTIGZSA-N
MW294.87 g/mol
LogP6.21
Rot. Bonds7

About 1-chloro-4-ethoxy-2,5-dimethyl-3-[(Z)-oct-5-en-3-yl]benzene

1-chloro-4-ethoxy-2,5-dimethyl-3-[(Z)-oct-5-en-3-yl]benzene (PubChem CID 83940652) has the molecular formula C18H27ClO and a molecular weight of 294.87 g/mol. Its IUPAC name is 1-chloro-4-ethoxy-2,5-dimethyl-3-[(Z)-oct-5-en-3-yl]benzene.

Molecular Properties

Compound Name1-chloro-4-ethoxy-2,5-dimethyl-3-[(Z)-oct-5-en-3-yl]benzene
PubChem CID83940652
Molecular FormulaC18H27ClO
Molecular Weight294.87 g/mol
Exact Mass294.18
IUPAC Name1-chloro-4-ethoxy-2,5-dimethyl-3-[(Z)-oct-5-en-3-yl]benzene
SMILESCC/C=C\CC(CC)c1c(C)c(Cl)cc(C)c1OCC
InChIInChI=1S/C18H27ClO/c1-6-9-10-11-15(7-2)17-14(5)16(19)12-13(4)18(17)20-8-3/h9-10,12,15H,6-8,11H2,1-5H3/b10-9-
InChIKeyKETSOMOYBKDTKO-KTKRTIGZSA-N
XLogP6.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.87
LogP ≤ 56.21
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-chloro-4-ethoxy-2,5-dimethyl-3-[(Z)-2-methylhex-3-enyl]benzene
CID 83940649
1-ethoxy-2,3-dimethyl-4-[(Z)-oct-5-en-3-yl]benzene
CID 83939883
2-[3-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-2-yl]propane-1,3-diamine
CID 83940614
2-[2-(3-chloro-2,5-dimethyl-6-propoxyphenyl)butyl]-3-methyloxirane
CID 83940779
2-[2-(5-chloro-2-methoxy-3,6-dimethylphenyl)butyl]-3-ethyloxirane
CID 83940530
3-(3-chloro-2,5-dimethyl-6-propoxyphenyl)pentyl thiocyanate
CID 112719427
3-chloro-2-ethoxy-5,6-dimethylbenzaldehyde
CID 171085182
4-(3-chloro-2,5-dimethyl-6-propoxyphenyl)heptan-1-amine
CID 83940695
6-(5-chloro-2-methoxy-3,6-dimethylphenyl)octan-3-one
CID 83940459
1,2,4,5-tetramethyl-3-[(Z)-non-6-en-4-yl]benzene
CID 83941472
5-chloro-2-ethoxy-3,6-dimethylbenzamide
CID 82266739
1-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-1-one
CID 82266724

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-ethoxy-2,5-dimethyl-3-[(Z)-oct-5-en-3-yl]benzene?
The IUPAC name of 1-chloro-4-ethoxy-2,5-dimethyl-3-[(Z)-oct-5-en-3-yl]benzene (CID 83940652) is 1-chloro-4-ethoxy-2,5-dimethyl-3-[(Z)-oct-5-en-3-yl]benzene.
What is the SMILES notation for 1-chloro-4-ethoxy-2,5-dimethyl-3-[(Z)-oct-5-en-3-yl]benzene?
The canonical SMILES for 1-chloro-4-ethoxy-2,5-dimethyl-3-[(Z)-oct-5-en-3-yl]benzene is CC/C=C\CC(CC)c1c(C)c(Cl)cc(C)c1OCC.
What is the InChIKey of 1-chloro-4-ethoxy-2,5-dimethyl-3-[(Z)-oct-5-en-3-yl]benzene?
The InChIKey is KETSOMOYBKDTKO-KTKRTIGZSA-N. The full InChI is InChI=1S/C18H27ClO/c1-6-9-10-11-15(7-2)17-14(5)16(19)12-13(4)18(17)20-8-3/h9-10,12,15H,6-8,11H2,1-5H3/b10-9-.
What are the key properties of 1-chloro-4-ethoxy-2,5-dimethyl-3-[(Z)-oct-5-en-3-yl]benzene?
1-chloro-4-ethoxy-2,5-dimethyl-3-[(Z)-oct-5-en-3-yl]benzene has a molecular weight of 294.87 g/mol, XLogP of 6.21, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-ethoxy-2,5-dimethyl-3-[(Z)-oct-5-en-3-yl]benzene is sourced from PubChem (CID 83940652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).